NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1434 7.8833 121.4520 61.3749 39.4512 176.8729 3 I 3.3409 7.6838 122.6464 61.8622 37.9053 173.4738 *5 E 3.9677 8.4575 124.2770 56.2649 32.2729 177.2511 6 E 3.8989 8.5753 119.1738 59.2151 29.6724 178.7114 7 A 4.0033 8.7933 121.8473 54.8736 18.3442 179.0422 8 K 3.7876 8.1774 117.7154 60.0360 32.0530 178.5707 9 K 3.9029 8.3923 119.4740 59.2846 31.9704 178.6768 10 L 4.0126 7.6145 119.6088 57.8728 41.7292 179.1185 11 I 3.7381 8.0196 119.6120 64.5898 37.1002 178.7098 12 I 3.8956 8.1282 120.7746 64.4568 37.1193 178.1499 13 E 4.0125 7.9890 120.1636 58.7524 29.5214 178.7107 14 L 3.8983 8.2795 121.0763 58.1715 42.1148 178.9583 15 F 4.4118 8.0739 117.3565 60.1766 38.6306 178.0397 16 S 4.3385 8.2568 115.3956 61.6425 62.3407 176.3529 17 E 4.0309 7.8972 119.6670 58.6240 28.8590 178.5547 18 L 4.2998 7.6083 116.9160 55.9353 41.6497 178.3459 19 A 4.1785 7.7553 120.6374 54.0380 18.8970 178.8667 20 K 4.1387 7.8462 117.7269 58.1635 32.4854 178.2533 21 I 4.1148 7.2411 117.7870 63.4604 37.3408 176.4096 22 H 4.7357 7.7049 114.4621 55.2914 29.0168 175.9337 23 G 3.8546 7.8782 106.8429 46.1667 0.0000 174.1273 24 L 4.4829 8.5957 121.2078 52.4643 43.0947 175.5357 25 N 4.6467 8.2658 118.3258 53.0272 39.6593 175.8305 26 K 4.2882 8.6001 125.2740 59.5957 32.3807 179.3746 27 S 4.0586 8.0817 115.7625 61.7395 62.6600 176.5029 28 V 3.7231 7.1480 118.6527 65.8900 31.0637 177.4904 29 G 4.4009 8.0925 105.1768 45.8070 0.0000 175.6678 30 A 4.0723 8.1113 123.2219 55.0467 18.5898 179.6264 31 V 3.5218 8.3378 117.1220 66.5940 31.2121 177.5818 32 Y 3.9945 7.5306 118.8637 60.6257 38.5437 177.9452 33 A 4.1097 7.8418 121.0558 54.6541 18.4398 179.8492 34 I 3.7190 7.5019 118.3829 64.7072 37.1246 178.5966 35 L 4.0399 7.6953 117.7611 57.5673 41.5586 177.9563 36 Y 3.8496 7.8889 119.8558 60.2965 38.7344 176.7929 37 L 4.0525 7.6802 117.5547 56.0488 42.2073 177.2222 38 S 4.4274 7.6463 113.3449 57.7512 62.9359 173.2723 39 D 4.7917 8.4879 122.7035 52.9247 40.3647 176.0876 40 K 4.7238 7.5704 117.7226 54.0733 35.7319 174.2103 41 P 4.6884 0.0000 0.0000 62.9344 32.2299 175.5431 42 L 5.1465 8.8901 122.3284 53.3383 45.8577 175.2440 43 T 4.6825 8.0600 109.3949 59.1125 71.3979 175.8900 44 I 3.6913 8.6793 122.5580 64.6598 37.2523 177.8113 45 S 4.2579 8.2122 112.8342 61.5922 62.8862 175.2419 46 D 4.5414 8.4684 121.1393 57.3603 40.8223 180.3031 47 I 4.0627 7.3943 120.4611 61.1394 36.1788 178.0339 *49 E 4.2960 8.2197 121.2047 56.5035 31.3845 177.6619 50 E 4.1422 7.9042 117.6445 58.4580 29.5307 177.5065 51 L 4.6224 7.8772 115.1088 53.2085 43.6431 176.6397 52 K 3.7870 8.0366 114.8854 56.9968 28.8594 173.1134 53 I 4.6944 7.1435 112.4426 57.6595 41.5227 176.4005 54 S 4.3539 8.2856 115.7267 58.0103 65.0720 174.8883 55 K 4.2491 8.6128 122.3429 58.2407 31.7600 178.4885 56 G 3.8150 7.7435 104.1992 47.3386 0.0000 175.0262 57 N 4.4288 8.0647 118.6243 56.2654 39.1297 177.0169 58 V 3.7422 7.6347 119.3178 65.8664 31.7471 179.5684 59 S 4.3324 7.3900 111.9756 59.0447 62.5271 176.4554 *61 S 4.3907 8.1043 120.1461 58.6001 64.9546 176.3203 62 L 3.9872 7.9755 120.2022 57.3123 41.2556 179.5371 63 K 4.0335 7.9426 118.5412 59.0427 31.9218 179.3916 64 K 3.9395 7.8866 119.6154 59.5000 32.2553 178.7661 65 L 4.0913 7.7283 118.9944 57.7238 41.4126 179.4715 66 E 4.4237 8.0812 119.6433 59.5624 29.2366 178.3542 67 E 3.8827 8.1554 116.4231 60.3237 29.6520 179.1376 68 L 4.1833 8.6420 121.4179 55.5171 42.5462 177.1852 69 G 3.7538 8.2179 106.5462 47.1962 0.0000 174.0969 70 F 4.6890 8.8479 117.1527 56.8810 41.9366 176.6527 71 V 4.9116 7.8726 117.9556 61.1799 35.2518 174.1124 72 R 4.9297 8.7318 120.4731 54.2885 32.9681 174.7297 73 K 4.3117 8.7583 120.6061 56.9796 33.1743 176.4096 74 V 4.4011 9.2138 122.4401 61.1427 35.3310 173.8137 75 W 5.4334 8.7436 126.0264 55.0974 31.0634 175.2566 76 I 4.3419 7.9782 123.6822 58.7685 39.0547 175.2442 77 K 3.9227 8.4882 125.2901 57.6591 32.5253 176.4294 78 G 3.8913 8.7521 112.3726 46.3095 0.0000 172.7141 79 E 4.5704 7.6811 119.6073 53.5218 31.4180 176.6759 80 R 4.0784 8.7125 123.7359 58.7854 29.7247 177.0665 81 K 4.3662 7.2569 115.7529 55.7597 33.4071 175.1039 82 N 5.2756 8.3695 115.7356 52.1356 41.4233 173.8987 83 Y 4.7829 8.6741 119.0490 56.3861 41.9229 174.3250 84 Y 5.4084 9.0852 119.3953 56.5060 42.5593 174.4805 85 E 5.1345 8.6239 117.1087 54.8537 33.3030 174.5263 86 A 4.5638 8.6329 124.9291 52.3438 19.3860 177.4096 87 V 3.9840 9.3024 122.1727 61.3794 33.8999 174.9050 88 D 4.3691 8.8524 120.6943 54.4649 40.5159 176.4211 89 G 3.4961 8.2644 109.5075 49.5341 0.0000 172.9444 90 F 4.3125 7.7869 121.6817 59.8662 39.6296 177.5311 91 S 4.1337 7.9706 112.1836 61.3017 62.0527 176.0393 92 S 4.0188 8.1636 116.1527 60.3225 62.4692 175.5366 93 I 4.0269 7.2560 123.2115 62.6565 37.4351 178.0454 94 K 4.0007 7.9413 119.7764 59.5701 32.0585 178.9016 95 D 4.3672 8.0322 118.6221 57.5714 40.8631 178.9471 96 I 3.7503 7.3399 119.8585 64.2526 36.6737 178.3394 97 A 4.1146 8.1787 121.3496 54.4604 17.9923 179.7535 98 K 4.0393 7.7900 117.4294 59.2135 32.4900 179.1310 99 R 4.0483 7.7283 117.8555 59.4489 30.0193 178.8975 100 K 3.8743 7.8761 117.3196 60.0620 32.1748 178.7863 101 H 4.2372 7.8192 118.7580 58.8726 29.2741 176.8564 102 D 4.6637 8.8748 120.7939 56.2986 40.6425 178.7354 103 L 4.0544 7.8868 120.1573 57.5812 41.8094 178.9402 104 I 3.6490 8.1113 119.8045 65.1394 37.1307 177.5827 105 A 3.7811 8.5993 119.8652 55.7859 18.0287 179.4211 106 K 3.8571 8.1556 113.7748 59.6652 32.6960 178.7618 107 T 3.8577 8.2256 115.5170 67.2586 68.4402 175.9242 108 Y 4.2073 8.1889 119.6838 60.3467 39.0281 177.7037 109 E 3.9678 8.2541 120.4970 59.4703 29.5146 178.4331 110 D 4.3796 8.5317 119.2093 57.3932 40.5957 178.9631 111 L 3.9954 8.0832 119.1992 57.2038 41.8402 179.4297 112 K 3.9270 7.5655 118.5024 59.4882 31.9302 179.2131 113 K 3.9240 8.0747 118.1299 59.9047 31.8731 178.9858 114 L 4.0750 7.6607 118.3320 57.1975 41.4086 178.3957 115 E 4.2420 8.3701 117.8161 57.6678 29.6844 178.1203 116 E 4.0747 7.5394 118.1709 60.4700 29.6894 178.6994 117 K 4.2642 7.9381 117.7908 58.1604 32.8217 176.1982 118 C 4.0232 8.4515 128.3307 59.9248 30.9476 172.4150 119 N 5.0311 7.8766 123.6639 52.2800 43.2508 173.5920 120 E 3.9089 9.6297 123.2843 56.5410 25.5830 175.0845 121 E 4.4856 9.1324 127.3605 57.1527 31.8997 176.4475 122 E 4.3385 7.9937 118.9467 57.3015 29.0774 177.5314 123 K 3.8832 8.0672 119.2085 58.5257 32.3660 177.8430 124 E 4.2459 8.1769 118.8286 58.3991 30.0634 178.1996 125 F 4.3389 8.8516 121.1073 61.3588 39.5413 176.9156 126 I 3.6413 7.3847 118.8942 63.9207 36.3776 178.1515 127 K 3.9342 7.5772 118.6436 59.1289 31.4337 178.7053 128 Q 4.0319 7.6419 119.4333 58.7291 28.4158 178.2571 129 K 3.8577 7.6428 118.6021 58.5269 32.2807 179.5813 130 I 3.8657 7.1908 120.7687 64.2070 37.0438 178.0303 131 K 4.3245 7.6067 116.0424 57.9402 32.0891 179.0426 132 G 3.7723 7.8339 106.6598 47.5875 0.0000 175.9129 133 I 3.9601 7.2354 119.1872 62.7617 37.2415 177.3445 134 E 3.8956 8.2285 120.5639 58.0210 29.6570 178.1140 135 R 4.0997 7.6233 117.9612 56.1421 30.4736 178.5509 *137 K 4.1772 8.0608 121.4420 56.4655 33.8975 177.7926 138 K 4.4090 7.4068 119.1668 58.3087 31.7732 179.5560 139 I 3.7863 7.7707 120.9294 64.0818 36.1641 177.7768 140 S 4.4127 7.8902 112.4114 59.6419 62.6409 175.5000 141 E 4.2098 7.7431 122.2407 58.9351 28.7826 178.6949 142 K 4.0482 7.5594 117.9726 59.3258 32.1906 179.3622 143 I 4.3408 7.6087 118.1177 63.1103 37.2582 177.7547 144 L 4.1900 7.1872 122.2026 57.9738 42.1940 177.3287 145 E 3.7608 8.6878 119.0510 59.7178 29.1853 178.4134 146 A 3.9884 9.4367 121.1133 55.7113 18.6419 179.4956 147 L 4.1235 7.6323 115.2789 56.9011 42.1420 178.0926 148 N 5.2348 8.1378 118.4062 52.1077 39.1052 175.2710 149 D 4.7743 7.7714 115.1418 54.1351 44.0763 176.2042 150 L 4.7506 7.9089 117.4152 54.1395 42.8550 176.0718 151 D 4.2332 7.7594 124.8464 53.8108 39.0526 174.9903 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 2 I 7.88 4.14 1.88 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 0.66 0.92 0.00 0.00 3 I 7.68 3.34 1.88 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 1.31 0.54 0.92 0.00 0.00 *5 E 8.46 3.97 0.00 2.08 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 0.00 2.28 2.38 0.00 6 E 8.58 3.90 0.00 2.11 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 0.00 2.31 2.38 0.00 7 A 8.79 4.00 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 8 K 8.18 3.79 0.00 1.86 2.04 0.00 1.74 0.00 0.00 2.14 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.56 7.81 9 K 8.39 3.90 0.00 2.02 2.01 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.51 7.81 10 L 7.61 4.01 0.00 1.94 1.68 0.93 0.84 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 11 I 8.02 3.74 2.15 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.97 1.36 0.00 0.00 12 I 8.13 3.90 1.93 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 1.50 1.13 0.96 0.00 0.00 13 E 7.99 4.01 0.00 2.18 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 0.00 2.30 2.34 0.00 14 L 8.28 3.90 0.00 1.53 1.34 0.75 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.07 4.41 0.00 3.18 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 16 S 8.26 4.34 0.00 3.90 3.92 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 0.00 0.00 0.00 0.00 17 E 7.90 4.03 0.00 2.14 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 2.51 2.46 0.00 18 L 7.61 4.30 0.00 1.76 1.61 0.77 0.69 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 19 A 7.76 4.18 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 20 K 7.85 4.14 0.00 1.92 1.84 0.00 1.59 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.37 7.81 21 I 7.24 4.11 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.83 0.89 0.00 0.00 22 H 7.70 4.74 0.00 3.16 3.28 0.00 5.96 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 23 G 7.88 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 0.00 0.00 0.00 24 L 8.60 4.48 0.00 1.56 1.55 0.80 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.27 4.65 0.00 2.70 2.66 0.00 0.00 6.61 6.55 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 26 K 8.60 4.29 0.00 2.02 2.06 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.40 7.81 27 S 8.08 4.06 0.00 3.87 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 28 V 7.15 3.72 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 0.71 0.00 0.00 0.89 0.00 0.00 29 G 8.09 4.40 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 0.00 30 A 8.11 4.07 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 31 V 8.34 3.52 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 0.94 0.00 0.00 0.94 0.00 0.00 32 Y 7.53 3.99 0.00 2.89 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.84 4.11 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 0.00 0.00 0.00 0.00 0.00 34 I 7.50 3.72 2.03 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 1.75 1.18 0.92 0.00 0.00 35 L 7.70 4.04 0.00 1.47 1.76 0.99 0.91 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 36 Y 7.89 3.85 0.00 1.97 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 37 L 7.68 4.05 0.00 1.76 1.71 1.03 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.65 4.43 0.00 3.97 3.73 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 0.00 0.00 0.00 39 D 8.49 4.79 0.00 2.78 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 40 K 7.57 4.72 0.00 1.86 1.78 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.42 7.81 41 P 0.00 4.69 0.00 2.10 2.13 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 42 L 8.89 5.15 0.00 1.65 1.58 0.94 0.43 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 43 T 8.06 4.68 3.92 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 0.00 0.00 0.00 0.41 0.00 0.00 44 I 8.68 3.69 1.91 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 1.38 0.81 0.90 0.00 0.00 45 S 8.21 4.26 0.00 3.96 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 46 D 8.47 4.54 0.00 2.97 2.78 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 0.00 0.00 0.00 47 I 7.39 4.06 1.99 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 1.31 0.61 0.90 0.00 0.00 *49 E 8.22 4.30 0.00 1.98 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 2.21 2.34 0.00 50 E 7.90 4.14 0.00 2.01 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 0.00 2.42 2.44 0.00 51 L 7.88 4.62 0.00 1.59 1.65 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.04 3.79 0.00 1.84 1.79 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.52 7.81 53 I 7.14 4.69 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.58 0.96 0.00 0.00 54 S 8.29 4.35 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 55 K 8.61 4.25 0.00 1.84 1.83 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.50 7.81 56 G 7.74 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 57 N 8.06 4.43 0.00 2.71 2.85 0.00 0.00 7.20 7.29 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 58 V 7.63 3.74 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 0.97 0.00 0.00 0.96 0.00 0.00 59 S 7.39 4.33 0.00 3.97 3.83 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 *61 S 8.10 4.39 0.00 3.97 3.91 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 62 L 7.98 3.99 0.00 1.46 1.28 0.21 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.94 4.03 0.00 1.82 1.85 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.66 7.81 64 K 7.89 3.94 0.00 1.84 1.90 0.00 1.59 0.00 0.00 1.92 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.55 7.81 65 L 7.73 4.09 0.00 1.73 1.80 0.99 1.25 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 8.08 4.42 0.00 2.25 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 2.56 2.56 0.00 67 E 8.16 3.88 0.00 2.09 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 2.37 2.40 0.00 68 L 8.64 4.18 0.00 1.73 2.01 0.80 0.95 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 69 G 8.22 3.75 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 0.00 0.00 0.00 70 F 8.85 4.69 0.00 2.83 3.14 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 0.00 0.00 0.00 71 V 7.87 4.91 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 1.19 0.00 0.00 1.15 0.00 0.00 72 R 8.73 4.93 0.00 1.88 1.96 0.00 2.78 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 73 K 8.76 4.31 0.00 1.64 1.68 0.00 1.94 0.00 0.00 1.82 0.00 0.00 2.77 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.19 1.69 7.81 74 V 9.21 4.40 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 0.94 0.00 0.00 1.02 0.00 0.00 75 W 8.74 5.43 0.00 3.24 2.85 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 76 I 7.98 4.34 1.27 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.72 0.78 0.00 0.00 77 K 8.49 3.92 0.00 1.69 1.67 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.42 7.81 78 G 8.75 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 79 E 7.68 4.57 0.00 1.96 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 2.41 2.44 0.00 80 R 8.71 4.08 0.00 1.92 2.02 0.00 3.08 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 81 K 7.26 4.37 0.00 1.77 1.72 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.41 7.81 82 N 8.37 5.28 0.00 2.63 2.31 0.00 0.00 6.61 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 8.67 4.78 0.00 3.03 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 84 Y 9.09 5.41 0.00 2.85 2.85 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 85 E 8.62 5.13 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 2.35 2.30 0.00 86 A 8.63 4.56 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 87 V 9.30 3.98 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 0.69 0.00 0.00 0.94 0.00 0.00 88 D 8.85 4.37 0.00 2.82 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 89 G 8.26 3.50 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 0.00 0.00 0.00 0.00 90 F 7.79 4.31 0.00 3.27 3.26 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 91 S 7.97 4.13 0.00 4.07 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 92 S 8.16 4.02 0.00 3.36 3.69 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 93 I 7.26 4.03 2.10 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.99 1.00 0.00 0.00 94 K 7.94 4.00 0.00 2.04 1.86 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.71 7.81 95 D 8.03 4.37 0.00 2.60 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 7.34 3.75 1.90 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.09 0.95 0.00 0.00 97 A 8.18 4.11 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 98 K 7.79 4.04 0.00 1.91 1.87 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.64 7.81 99 R 7.73 4.05 0.00 1.89 2.00 0.00 3.15 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 100 K 7.88 3.87 0.00 1.85 1.89 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.71 7.81 101 H 7.82 4.24 0.00 3.37 3.48 0.00 5.82 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 0.00 102 D 8.87 4.66 0.00 2.79 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 0.00 103 L 7.89 4.05 0.00 1.86 1.70 0.93 0.68 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 0.00 104 I 8.11 3.65 1.96 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.95 0.92 0.00 0.00 105 A 8.60 3.78 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 0.00 106 K 8.16 3.86 0.00 2.00 2.01 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.59 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.58 7.81 107 T 8.23 3.86 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 0.00 108 Y 8.19 4.21 0.00 2.91 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 0.00 109 E 8.25 3.97 0.00 2.13 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 0.00 2.28 2.33 0.00 110 D 8.53 4.38 0.00 2.82 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 0.00 111 L 8.08 4.00 0.00 1.40 1.61 0.97 0.83 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 0.00 112 K 7.57 3.93 0.00 1.83 1.71 0.00 1.62 0.00 0.00 1.33 0.00 0.00 2.31 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.04 1.30 7.81 113 K 8.07 3.92 0.00 1.90 1.86 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.71 7.81 114 L 7.66 4.08 0.00 1.86 1.69 0.95 0.67 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 0.00 115 E 8.37 4.24 0.00 1.91 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 2.29 2.33 0.00 116 E 7.54 4.07 0.00 2.11 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 2.41 2.47 0.00 117 K 7.94 4.26 0.00 1.72 1.78 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.48 7.81 118 C 8.45 4.02 0.00 2.98 3.15 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 0.00 119 N 7.88 5.03 0.00 2.96 2.65 0.00 0.00 7.45 7.65 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 0.00 120 E 9.63 3.91 0.00 2.15 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 2.17 2.24 0.00 121 E 9.13 4.49 0.00 1.92 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 2.23 2.33 0.00 122 E 7.99 4.34 0.00 2.05 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 2.36 2.48 0.00 123 K 8.07 3.88 0.00 2.03 1.83 0.00 1.81 0.00 0.00 1.93 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.65 1.58 7.81 124 E 8.18 4.25 0.00 2.12 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 0.00 2.41 2.40 0.00 125 F 8.85 4.34 0.00 2.97 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 0.00 126 I 7.38 3.64 1.83 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.80 0.85 0.00 0.00 127 K 7.58 3.93 0.00 2.08 1.87 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.69 7.81 128 Q 7.64 4.03 0.00 1.84 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 129 K 7.64 3.86 0.00 1.67 1.80 0.00 1.63 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.38 7.81 130 I 7.19 3.87 1.86 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.00 0.96 0.00 0.00 131 K 7.61 4.32 0.00 1.75 1.88 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.59 7.81 132 G 7.83 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 0.00 133 I 7.24 3.96 2.08 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 1.65 0.88 1.00 0.00 0.00 134 E 8.23 3.90 0.00 2.34 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 2.05 1.68 0.00 135 R 7.62 4.10 0.00 2.12 1.89 0.00 3.19 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.92 0.00 *137 K 8.06 4.18 0.00 1.58 1.74 0.00 1.58 0.00 0.00 1.27 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.37 7.81 138 K 7.41 4.41 0.00 1.85 1.80 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.41 7.81 139 I 7.77 3.79 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.83 0.90 0.00 0.00 140 S 7.89 4.41 0.00 4.10 4.13 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 0.00 141 E 7.74 4.21 0.00 2.26 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 2.27 2.67 0.00 142 K 7.56 4.05 0.00 1.90 1.83 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.64 7.81 143 I 7.61 4.34 1.88 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 1.41 0.66 0.93 0.00 0.00 144 L 7.19 4.19 0.00 2.01 1.68 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 145 E 8.69 3.76 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 2.30 2.34 0.00 146 A 9.44 3.99 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 0.00 147 L 7.63 4.12 0.00 1.85 1.78 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 148 N 8.14 5.23 0.00 2.75 2.81 0.00 0.00 6.72 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 D 7.77 4.77 0.00 2.71 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.91 4.75 0.00 1.57 1.58 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 151 D 7.76 4.23 0.00 2.78 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 * Residues marked with a * may have inaccurate shift predictions.