NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 M 4.4490 8.3044 120.3353 54.9738 33.7390 174.3218 17 K 4.1327 8.4637 124.5909 55.4832 33.5461 173.8726 18 K 5.1181 9.5413 128.3707 55.5692 34.6521 175.4718 19 R 5.2951 9.4606 122.0055 54.5287 34.8924 173.9978 20 A 5.5383 8.9518 122.0670 50.5130 22.4868 175.2643 21 A 5.1043 8.9165 120.1212 50.7495 23.5121 175.0351 22 C 5.0097 8.6062 119.2329 57.9478 34.8851 173.6463 23 L 4.1252 9.0642 127.7016 54.2596 42.3293 175.6271 24 C 4.9224 8.2498 122.8294 58.4142 29.8106 173.0478 25 F 6.1321 9.2243 123.0898 55.1876 40.8346 177.1426 26 R 3.7734 8.7663 122.1293 58.9967 30.8382 175.6338 27 S 4.5558 7.5659 111.5285 57.4469 65.3405 174.4040 28 E 4.1662 8.5919 118.6807 58.4659 29.2677 178.7315 29 R 3.8728 7.7425 117.7692 57.1991 30.2291 176.3758 30 E 2.9224 7.3492 115.4114 57.2345 27.6273 174.9895 31 D 4.8177 7.9291 117.9271 54.8089 43.4888 176.5820 32 E 5.4452 8.2851 118.1870 54.3501 33.1535 175.1652 33 V 5.0892 9.5223 124.1711 59.8184 34.8446 174.3808 34 L 4.5005 8.5442 125.7148 54.1685 42.5510 175.9019 35 L 4.8811 8.7337 126.4806 53.4735 44.6914 175.8194 36 V 5.4749 8.6619 113.2416 59.4558 35.9378 175.5295 37 S 4.5224 8.8464 117.4588 58.0718 63.8345 174.1687 38 S 4.3926 8.5980 117.2839 58.4198 62.8155 175.4080 39 S 4.1653 8.7110 120.5300 60.9229 63.4718 175.6647 40 R 3.8633 7.8062 118.9715 57.7738 30.2981 175.8293 41 Y 4.5941 7.8490 116.4682 55.0589 38.0111 174.2566 42 P 4.5333 0.0000 0.0000 63.5335 31.7793 176.6937 43 D 4.5291 7.8757 116.1562 53.7470 41.8254 175.4118 44 R 4.5485 7.8222 117.5520 54.9876 32.8204 175.0946 45 W 5.5270 8.5196 120.6536 55.3266 31.6047 175.2543 46 I 4.8213 9.0372 115.9017 59.2587 41.3547 173.9810 47 V 4.2803 8.6330 123.1536 61.7125 32.1697 174.0194 48 P 4.5576 0.0000 0.0000 62.7384 32.7005 176.4654 49 G 4.0262 8.0232 108.0447 47.7215 0.0000 171.0897 50 G 3.9354 7.4592 107.3202 45.2661 0.0000 172.3735 51 G 4.1477 8.5981 106.4098 46.3171 0.0000 173.3817 52 M 4.8307 8.5225 122.8434 53.6678 33.8427 176.1949 53 E 4.3082 9.7278 122.7755 55.1986 31.4764 174.6641 54 P 4.3993 0.0000 0.0000 64.2546 31.5760 176.3360 55 E 3.7938 8.9895 120.4192 56.9766 27.2369 174.1212 56 E 4.0896 7.7514 119.0477 55.7361 30.4253 176.9829 57 E 4.0754 8.5277 125.2845 55.6038 31.0554 176.5796 58 P 4.3360 0.0000 0.0000 65.3532 31.4887 179.2300 59 G 2.9075 7.8652 104.3537 47.5002 0.0000 175.7978 60 G 3.5629 7.9103 108.0175 47.2988 0.0000 175.4050 61 A 4.0782 7.9598 122.8797 54.7498 18.3820 179.4835 62 A 4.0597 8.0942 119.4589 55.4069 18.3591 180.0173 63 V 3.4926 7.5627 116.5161 66.0540 31.5160 178.1967 64 R 3.9031 7.9949 118.3728 59.5151 29.4431 178.3091 65 E 4.0053 8.4617 118.6155 59.7052 29.5317 179.9042 66 V 3.7125 7.9047 112.2901 64.0946 31.3977 178.1400 67 Y 4.3050 7.7547 120.7773 60.2487 38.7266 177.9486 68 E 3.9975 8.5423 119.6201 59.5387 29.4506 179.1033 69 E 4.6315 8.9252 118.6958 57.3969 29.8540 177.3268 70 A 4.1110 7.5010 117.5929 50.4312 20.6439 175.6693 71 G 3.2454 7.1758 103.9523 46.1493 0.0000 173.2173 72 V 4.5981 7.4178 119.3243 60.8584 33.5149 174.6089 73 K 4.6818 8.5553 126.8938 54.9687 35.4721 176.0850 74 G 4.3615 7.9455 107.7024 46.3398 0.0000 171.5850 75 K 4.5695 8.2922 123.2551 54.3071 33.5929 176.5123 76 L 4.2656 8.7013 130.7319 55.3146 42.3493 176.7488 77 G 4.5626 8.9522 115.2984 45.7187 0.0000 173.3104 78 R 4.4094 8.6834 119.1970 55.8255 31.3850 176.3399 79 L 3.6408 8.3686 122.9925 54.7908 41.7606 176.2719 80 L 4.1064 9.0242 130.7944 56.6499 42.8288 176.9801 81 G 3.8948 7.1208 105.3028 46.2895 0.0000 171.4542 82 V 4.7548 7.9104 119.7568 61.0084 33.1557 174.5367 83 F 4.8546 9.2433 127.2949 55.7673 41.5692 174.8120 84 E 4.8427 8.4733 122.5948 55.3660 32.7217 174.0380 *91 H 4.7767 8.8697 123.1050 55.2208 30.8032 173.5874 92 R 4.6789 8.0084 119.6671 55.0072 33.2674 173.4848 93 T 5.1146 8.9084 123.7110 61.9802 71.7310 172.8798 94 Y 4.5864 9.2128 125.5303 57.0861 39.4023 174.7818 95 V 4.5596 8.5667 125.8784 61.5658 33.2272 174.5586 96 Y 5.0354 8.9067 125.7893 56.7461 40.9490 175.2392 97 V 4.9919 8.5757 113.9909 60.2058 35.1059 174.8846 98 L 5.0559 8.7973 123.3122 54.3167 46.1559 174.4291 99 T 5.0438 8.8044 122.8438 62.0057 70.0862 174.3630 100 V 4.2661 8.8955 128.6031 63.3847 31.7673 175.7111 101 T 4.6166 9.1505 117.3700 62.1462 71.5052 173.6913 102 E 4.9118 8.0296 122.1405 54.7564 33.4437 173.5015 103 L 4.9781 8.4199 126.2238 52.7302 43.5217 176.3679 104 L 4.1926 8.7065 125.2613 54.8482 41.8314 177.7779 105 E 4.2926 9.0713 122.2664 58.7766 29.8854 177.2325 106 D 5.0021 8.0797 116.7637 51.8465 43.9225 175.4376 107 W 5.1977 7.6093 119.2355 53.5056 32.7742 175.5216 108 E 3.8449 8.8543 118.8591 60.1561 28.7196 178.7333 109 D 4.5660 8.1928 119.4104 56.2692 40.7772 178.8441 110 S 3.7162 6.6726 113.5940 60.9624 61.9462 176.2090 111 V 3.3968 7.1983 120.1156 65.8494 31.5302 177.8946 112 S 4.3270 8.2239 114.6095 60.5527 62.8825 175.4371 113 I 4.5287 7.2322 111.3479 59.1331 38.4266 175.0330 114 G 3.7449 7.8365 107.8510 46.6822 0.0000 174.2418 115 R 4.0529 7.9349 119.5867 56.0861 30.7945 175.8035 116 K 5.0727 9.2374 125.8492 55.0361 34.9967 175.4008 117 R 5.4061 8.5947 117.2868 55.0492 32.8192 174.0868 118 E 4.5034 8.5933 119.2201 54.8791 33.6095 174.1190 119 W 4.9476 8.4645 126.5481 56.6120 30.2136 175.6226 120 F 4.8487 9.5671 123.1218 55.0767 42.3874 175.1117 121 K 4.4573 8.8545 121.8898 56.6638 32.8774 177.8101 122 V 3.7056 8.6508 122.6329 66.7428 31.3209 178.6312 123 E 4.0101 8.1926 117.3973 59.3985 29.3894 178.9114 124 D 4.3880 8.1751 118.3626 57.2004 40.9917 178.2780 125 A 3.5461 8.4766 121.7036 55.2568 18.3925 179.6369 126 I 3.5959 7.8972 118.2035 64.4600 36.9371 178.7571 127 K 3.9453 7.6628 118.0471 59.7289 32.0604 179.6295 128 V 3.8312 7.6269 110.5076 63.5589 31.7141 177.9765 129 L 4.2392 7.7930 118.7499 56.6628 41.4831 178.7559 130 Q 3.9220 7.8182 117.7308 59.0565 28.7645 177.8709 131 C 4.0878 7.9590 117.6505 62.3771 31.6389 173.8548 132 H 4.7423 7.9411 112.7192 55.4863 31.0048 174.4820 133 K 4.6048 7.9161 118.8388 53.9774 32.5018 175.6216 134 P 4.1872 0.0000 0.0000 66.1019 31.1673 178.3215 135 V 3.4450 7.4876 116.7523 66.0378 31.8903 177.2579 136 H 3.0553 7.9048 115.8131 58.3085 28.4216 177.5386 137 A 3.9279 7.7590 122.1285 55.1241 18.1897 179.0444 138 E 3.8788 7.9439 117.7749 59.5659 29.6133 178.6744 139 Y 4.0830 7.2336 116.5403 61.1499 37.8505 178.6410 140 L 4.1662 7.9007 119.2504 57.4724 41.8726 179.1027 141 E 3.9803 8.4469 119.0053 59.3356 29.3444 179.2971 142 K 4.0511 8.3630 119.6881 59.2249 32.2372 178.5075 143 L 3.9238 8.0875 120.7704 58.2123 41.9840 179.2276 144 K 3.9637 8.3135 118.1715 59.3774 31.5793 179.2166 145 A 4.0316 8.1638 121.0425 55.6039 18.3326 179.4819 146 H 4.1370 8.6571 114.8936 59.1643 28.7768 177.6262 147 H 4.2226 8.6923 118.6285 59.3084 28.3698 177.1131 148 H 4.1209 8.0364 118.9360 59.0350 29.7088 175.3329 149 H 4.6617 7.4286 113.5695 54.9389 28.7066 174.2747 150 H 4.1250 8.1576 115.5754 56.2785 26.6500 174.6070 151 H 4.4590 8.3854 118.9810 56.2020 28.3035 173.1741 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 16 M 8.30 4.45 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 17 K 8.46 4.13 0.00 1.98 1.67 0.00 1.82 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.49 1.11 7.81 18 K 9.54 5.12 0.00 1.87 1.98 0.00 1.75 0.00 0.00 1.99 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.72 1.59 7.81 19 R 9.46 5.30 0.00 1.76 1.92 0.00 3.14 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 20 A 8.95 5.54 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.92 5.10 1.10 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 0.00 0.00 22 C 8.61 5.01 0.00 2.98 2.75 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 0.00 0.00 0.00 23 L 9.06 4.13 0.00 1.43 1.07 1.02 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.25 4.92 0.00 2.73 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 25 F 9.22 6.13 0.00 3.03 3.04 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 26 R 8.77 3.77 0.00 0.67 1.42 0.00 2.84 0.00 0.00 2.86 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.00 27 S 7.57 4.56 0.00 3.95 3.85 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 E 8.59 4.17 0.00 1.93 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 0.00 2.31 2.40 0.00 29 R 7.74 3.87 0.00 1.74 2.08 0.00 3.24 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 30 E 7.35 2.92 0.00 1.67 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 2.09 0.00 31 D 7.93 4.82 0.00 2.56 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 32 E 8.29 5.45 0.00 1.73 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 2.32 2.23 0.00 33 V 9.52 5.09 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 1.06 0.00 0.00 0.77 0.00 0.00 34 L 8.54 4.50 0.00 0.58 1.21 -0.49 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.73 4.88 0.00 1.52 1.77 0.20 0.67 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 36 V 8.66 5.47 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 0.78 0.00 0.00 1.07 0.00 0.00 37 S 8.85 4.52 0.00 3.68 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 38 S 8.60 4.39 0.00 4.00 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 39 S 8.71 4.17 0.00 3.97 3.95 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 40 R 7.81 3.86 0.00 1.35 1.08 0.00 3.05 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.49 0.00 41 Y 7.85 4.59 0.00 2.86 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 42 P 0.00 4.53 0.00 1.96 2.02 0.00 3.66 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 43 D 7.88 4.53 0.00 2.52 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 44 R 7.82 4.55 0.00 1.86 1.74 0.00 2.81 0.00 0.00 2.88 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 45 W 8.52 5.53 0.00 3.03 2.93 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 46 I 9.04 4.82 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.93 0.93 0.00 0.00 47 V 8.63 4.28 1.92 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 0.85 0.00 0.00 0.93 0.00 0.00 48 P 0.00 4.56 0.00 2.15 2.17 0.00 3.83 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 2.17 1.91 0.00 49 G 8.02 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 0.00 0.00 0.00 50 G 7.46 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 51 G 8.60 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 0.00 0.00 0.00 52 M 8.52 4.83 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.54 0.00 53 E 9.73 4.31 0.00 1.94 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 2.34 2.31 0.00 54 P 0.00 4.40 0.00 2.04 2.01 0.00 3.83 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 2.03 2.12 0.00 55 E 8.99 3.79 0.00 2.10 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 0.00 2.22 2.22 0.00 56 E 7.75 4.09 0.00 2.03 1.82 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 2.28 2.25 0.00 57 E 8.53 4.08 0.00 1.98 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 58 P 0.00 4.34 0.00 2.35 1.89 0.00 3.48 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.29 0.00 59 G 7.87 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 0.00 0.00 0.00 60 G 7.91 3.56 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 0.00 0.00 0.00 61 A 7.96 4.08 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 62 A 8.09 4.06 1.34 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 0.00 0.00 63 V 7.56 3.49 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 0.93 0.00 0.00 0.90 0.00 0.00 64 R 7.99 3.90 0.00 1.93 2.15 0.00 3.18 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 65 E 8.46 4.01 0.00 2.27 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 2.42 0.00 66 V 7.90 3.71 2.03 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 0.85 0.00 0.00 1.02 0.00 0.00 67 Y 7.75 4.31 0.00 3.10 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 68 E 8.54 4.00 0.00 2.13 2.05 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 2.66 2.68 0.00 69 E 8.93 4.63 0.00 1.98 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 2.60 2.40 0.00 70 A 7.50 4.11 0.97 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 0.00 0.00 71 G 7.18 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 0.00 0.00 0.00 72 V 7.42 4.60 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 0.94 0.00 0.00 0.74 0.00 0.00 73 K 8.56 4.68 0.00 1.77 1.70 0.00 2.03 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.58 7.81 74 G 7.95 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 0.00 0.00 0.00 0.00 75 K 8.29 4.57 0.00 1.85 1.74 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.38 7.81 76 L 8.70 4.27 0.00 1.63 1.52 0.81 0.74 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 77 G 8.95 4.56 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 0.00 0.00 0.00 78 R 8.68 4.41 0.00 1.96 2.14 0.00 3.03 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.69 0.00 79 L 8.37 3.64 0.00 1.28 1.51 0.35 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 80 L 9.02 4.11 0.00 1.69 1.86 0.89 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.12 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 82 V 7.91 4.75 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 0.32 0.00 0.00 0.91 0.00 0.00 83 F 9.24 4.85 0.00 2.96 3.06 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 0.00 0.00 0.00 84 E 8.47 4.84 0.00 1.83 1.73 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 2.17 2.56 0.00 *91 H 8.87 4.78 0.00 3.33 3.44 0.00 5.72 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.01 4.68 0.00 1.86 1.73 0.00 3.00 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.41 0.00 93 T 8.91 5.11 4.29 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 1.21 0.00 0.00 94 Y 9.21 4.59 0.00 3.01 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 95 V 8.57 4.56 1.86 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 0.66 0.00 0.00 -0.33 0.00 0.00 96 Y 8.91 5.04 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 97 V 8.58 4.99 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 0.91 0.00 0.00 1.19 0.00 0.00 98 L 8.80 5.06 0.00 1.73 1.47 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.80 5.04 4.32 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 0.00 0.00 0.00 1.28 0.00 0.00 100 V 8.90 4.27 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 0.93 0.00 0.00 1.15 0.00 0.00 101 T 9.15 4.62 4.27 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 1.25 0.00 0.00 102 E 8.03 4.91 0.00 2.06 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 2.31 2.38 0.00 103 L 8.42 4.98 0.00 1.55 1.45 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.71 4.19 0.00 1.51 1.68 0.87 1.00 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 0.00 105 E 9.07 4.29 0.00 2.04 2.09 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 2.38 2.33 0.00 106 D 8.08 5.00 0.00 2.64 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 0.00 107 W 7.61 5.20 0.00 3.25 3.06 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 0.00 0.00 0.00 108 E 8.85 3.84 0.00 2.08 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 2.40 2.44 0.00 109 D 8.19 4.57 0.00 3.11 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 0.00 110 S 6.67 3.72 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.20 3.40 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 0.83 0.00 0.00 0.78 0.00 0.00 112 S 8.22 4.33 0.00 4.03 4.10 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 0.00 113 I 7.23 4.53 1.81 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 1.32 0.75 0.86 0.00 0.00 114 G 7.84 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 0.00 0.00 0.00 115 R 7.93 4.05 0.00 1.85 1.96 0.00 3.63 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 116 K 9.24 5.07 0.00 1.76 1.96 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.35 7.81 117 R 8.59 5.41 0.00 1.53 1.78 0.00 2.47 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.34 0.00 118 E 8.59 4.50 0.00 1.87 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 1.93 0.00 119 W 8.46 4.95 0.00 3.10 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 0.00 120 F 9.57 4.85 0.00 2.80 2.93 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 0.00 121 K 8.85 4.46 0.00 2.03 1.80 0.00 1.87 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.47 7.81 122 V 8.65 3.71 2.17 0.00 0.00 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 1.17 0.00 0.00 123 E 8.19 4.01 0.00 2.05 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 0.00 2.43 2.36 0.00 124 D 8.18 4.39 0.00 3.04 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 0.00 125 A 8.48 3.55 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 126 I 7.90 3.60 2.03 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 1.51 1.10 0.95 0.00 0.00 127 K 7.66 3.95 0.00 1.96 1.89 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.71 7.81 128 V 7.63 3.83 2.19 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 0.80 0.00 0.00 0.51 0.00 0.00 129 L 7.79 4.24 0.00 1.62 1.77 0.85 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 130 Q 7.82 3.92 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 131 C 7.96 4.09 0.00 2.82 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 0.00 132 H 7.94 4.74 0.00 3.03 3.09 0.00 5.69 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.92 4.60 0.00 1.63 1.52 0.00 1.31 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 1.32 7.81 134 P 0.00 4.19 0.00 2.19 2.35 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 135 V 7.49 3.45 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 0.72 0.00 0.00 0.89 0.00 0.00 136 H 7.90 3.06 0.00 3.19 3.13 0.00 5.70 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 A 7.76 3.93 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 0.00 138 E 7.94 3.88 0.00 2.14 2.09 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 2.59 2.46 0.00 139 Y 7.23 4.08 0.00 2.96 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 0.00 140 L 7.90 4.17 0.00 1.85 1.76 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.45 3.98 0.00 2.19 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 2.55 2.48 0.00 142 K 8.36 4.05 0.00 2.19 2.13 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.50 7.81 143 L 8.09 3.92 0.00 1.89 1.91 1.10 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.31 3.96 0.00 2.03 1.86 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.57 7.81 145 A 8.16 4.03 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 H 8.66 4.14 0.00 3.44 3.63 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 H 8.69 4.22 0.00 3.34 3.31 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 H 8.04 4.12 0.00 3.13 3.35 0.00 5.93 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 H 7.43 4.66 0.00 2.86 3.03 0.00 5.88 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 H 8.16 4.12 0.00 3.21 3.33 0.00 5.68 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 0.00 151 H 8.39 4.46 0.00 3.21 3.22 0.00 5.61 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 * Residues marked with a * may have inaccurate shift predictions.