NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4429 8.3349 115.4126 57.8225 64.3640 173.4629 3 L 4.0484 8.2130 122.8170 53.6552 42.3225 175.2883 4 M 4.2538 8.1627 121.4658 54.7582 34.1326 176.0647 5 D 4.4600 8.6143 124.2389 53.1898 41.0910 175.5477 6 P 4.1731 0.0000 0.0000 66.0634 31.4004 178.5814 7 L 3.8705 7.8750 117.9647 57.9470 42.0390 178.5426 8 A 3.8597 8.1126 120.7660 55.1578 18.3592 178.9628 9 N 4.1327 8.5646 115.6648 56.8279 39.0151 176.8163 10 A 4.0247 8.2034 122.1811 55.3564 18.5376 179.7092 11 L 3.8966 8.0454 117.4770 57.6252 41.5589 179.6406 12 N 4.2468 8.2864 116.8191 56.5490 38.4880 177.0190 13 H 4.1415 8.0526 117.4510 58.9645 28.8638 177.7117 14 I 3.6401 7.7012 121.4035 64.5727 36.9893 177.9149 15 S 4.0187 7.9872 113.6061 61.9208 62.1072 176.1920 16 N 4.3476 8.2845 118.5499 56.6138 38.3360 177.3926 17 C 4.4548 8.5612 118.1257 62.1531 27.8457 175.7999 18 E 3.9370 8.2363 121.5822 58.9544 29.0670 178.5202 19 R 3.8978 7.7407 117.6369 59.4818 30.3617 178.3986 20 V 3.8101 8.0202 115.9617 63.9414 31.5198 176.6625 21 G 3.9416 7.6806 105.7902 45.7593 0.0000 173.9858 22 K 4.1373 7.8957 118.6570 56.6303 32.5097 177.0762 23 K 4.4721 8.3854 119.4584 56.6207 33.1842 175.9792 24 V 4.8034 7.4380 118.0519 62.3674 34.4935 172.2738 25 V 4.6632 8.3080 123.2886 60.5962 35.1585 172.8033 26 Y 4.9790 8.7376 120.2247 56.4890 40.0243 174.9914 27 I 3.9260 9.0128 126.5268 60.5240 38.4622 175.8897 28 K 4.0941 9.1591 129.1170 57.5043 31.9922 175.6494 29 P 4.1892 0.0000 0.0000 63.6482 32.7066 177.1828 30 A 4.9151 7.6768 127.6404 50.4775 18.5390 176.0881 31 S 4.4975 7.7488 118.7733 57.1984 65.8702 175.6104 32 K 4.0834 8.5624 121.8166 59.3654 31.7390 179.2773 33 L 3.9291 7.9295 120.1962 58.3309 41.9830 178.9439 34 I 3.7164 7.7414 119.2640 64.2631 37.0662 178.6211 35 G 3.3460 8.2884 106.4563 47.9272 0.0000 175.9267 36 R 3.9700 8.1308 119.9287 58.8576 30.1796 179.0923 37 V 3.6492 7.7714 118.1980 65.8519 31.2866 178.1477 38 L 3.6112 7.5314 118.1342 57.3298 41.4156 179.0189 39 K 4.3121 7.8947 119.7323 59.2986 31.5506 179.0283 40 V 3.9769 7.2105 116.4621 63.4358 31.2512 177.4536 *42 Q 4.4562 8.0105 118.1419 55.8486 30.4112 176.7214 43 D 4.4797 8.2501 116.0665 56.5194 39.6412 177.1733 44 N 4.8404 8.0606 115.5081 52.4392 38.9675 175.4344 45 G 3.9679 8.6430 105.5733 46.8274 0.0000 174.8331 46 Y 4.3684 7.4410 117.4217 58.5027 38.5574 175.4191 47 I 4.6973 7.3971 111.3121 59.3414 41.3509 175.5656 48 G 4.2533 8.4415 115.8658 46.5604 0.0000 174.4233 49 E 4.5871 9.7029 125.4948 56.5525 30.8599 175.6885 50 F 6.0342 8.1820 114.7725 56.5846 40.8092 173.2184 51 E 4.8748 8.8034 117.5368 54.7336 33.3306 173.7106 52 F 4.6445 9.0864 124.2934 58.0446 40.7201 174.4719 53 I 4.2327 8.0057 127.2399 58.9920 39.4204 174.6398 54 E 4.1185 8.5960 129.4054 56.0208 29.9381 176.0751 55 D 4.6584 8.3937 123.5218 52.5103 40.7293 176.4660 56 G 4.1292 9.7147 109.7894 45.8424 0.0000 174.5772 57 R 4.4836 7.6809 114.0876 56.4982 28.3781 178.4833 58 A 4.1720 8.8339 133.7741 53.3664 18.9145 178.2627 59 G 3.8923 9.1801 101.0997 44.5582 0.0000 172.4514 60 I 4.8829 7.1301 117.1505 59.5668 42.0476 174.6219 61 F 5.3844 9.1326 124.3968 55.7661 41.5842 174.4450 62 K 4.2533 9.1327 126.1938 54.9564 33.5798 175.0384 63 V 4.7353 8.5071 128.8075 60.9423 34.0675 174.0717 64 E 4.4293 9.5034 130.1588 55.7514 30.1858 175.6153 65 L 4.7582 8.1248 127.8678 53.7928 43.0149 177.0531 66 I 4.5896 7.8946 113.9969 60.7252 38.3943 175.1223 67 G 4.1002 8.4839 106.0314 47.9290 0.0000 174.5288 68 K 4.4634 8.2104 115.7058 55.7443 34.1329 176.9305 69 I 4.5832 7.8708 119.7111 59.9650 38.5123 175.1167 70 N 4.7728 8.5306 120.3855 52.3513 40.3994 175.0799 71 K 4.3898 6.9932 122.5524 56.4750 34.4095 172.6169 72 C 4.7185 7.7767 117.6159 57.4550 32.1331 172.6870 73 G 3.6813 6.5960 107.0138 45.6508 0.0000 172.0486 74 A 4.6531 8.3179 121.4980 51.1463 20.0036 176.9147 75 I 4.2505 7.9521 121.7190 59.5959 38.5882 175.8310 76 K 4.3295 8.4117 125.6381 53.7621 35.3621 174.6268 77 P 4.3078 0.0000 0.0000 62.0843 32.1450 177.4630 78 R 4.5163 7.6004 118.7688 54.0725 28.3798 175.9566 79 F 4.4292 7.7507 121.0957 57.2767 40.3474 172.6142 80 P 4.9707 0.0000 0.0000 62.6177 32.6344 175.6490 81 V 4.4966 9.0800 121.7590 61.2725 35.3368 175.3604 82 K 4.4581 8.4880 126.6901 54.8618 33.1911 177.8269 83 K 4.1463 8.3513 118.9493 59.5231 32.1183 177.5377 84 F 5.3187 7.9222 116.5730 57.3582 40.0124 175.1161 85 G 4.1318 7.8695 107.6017 45.8028 0.0000 175.7100 86 Y 4.5228 8.1007 120.3525 60.5479 38.0407 176.9327 87 E 4.2843 8.4738 121.3524 58.7814 29.1920 178.6631 88 K 3.6909 8.0879 118.6377 59.7273 32.0617 178.3633 89 F 4.4060 7.8497 117.1754 60.1954 38.9970 177.5579 90 E 4.1129 8.8030 118.9060 59.4680 29.0282 179.5635 91 K 4.0771 7.9760 117.6357 59.1768 32.1338 179.0670 92 R 3.8358 7.3519 117.1263 58.2127 30.0595 176.4100 93 Y 4.5828 7.9784 113.3213 57.4055 39.6407 176.0832 94 L 4.4164 7.6701 121.1077 51.3150 41.1163 174.7843 95 P 3.9362 0.0000 0.0000 64.3233 32.0522 176.1672 96 A 4.5291 7.0289 120.8227 49.8609 19.4729 176.3670 97 R 4.1322 8.2865 122.1517 58.4798 30.5663 177.3053 98 D 4.7136 9.1870 121.2783 53.8958 38.7221 174.5166 99 F 4.8873 7.9533 116.8600 56.7658 42.2175 175.4031 100 G 4.3825 10.2463 109.8272 46.1217 0.0000 171.9654 101 I 4.9448 8.6027 111.0726 59.2396 41.6330 173.9303 102 L 5.1084 8.5568 122.2826 53.2512 44.4869 175.4068 103 I 4.7140 8.8718 124.7534 59.7241 38.7296 175.1096 104 V 4.8373 8.3672 126.3796 59.8518 35.0386 174.4275 105 S 4.9478 9.2846 118.2974 57.2253 63.8568 173.2120 106 T 4.9147 8.5375 117.5170 59.7006 71.6224 175.2151 107 T 3.8774 8.6790 115.3698 64.3607 67.4107 174.3807 108 Q 4.3847 7.8978 118.8105 55.8049 29.0293 174.3879 109 G 3.7383 8.0724 105.6481 44.2448 0.0000 173.4371 110 V 4.4411 8.1061 117.7894 61.4114 32.4945 175.8391 *112 S 4.4833 8.2371 120.2975 58.3398 65.2646 174.6910 113 H 3.9038 8.9387 119.4189 58.7639 28.1385 177.7943 114 E 3.6705 7.7213 120.9253 59.0071 29.1125 178.5023 115 E 4.0105 7.9888 118.9811 58.5659 29.6277 178.5714 116 A 3.9925 7.7315 121.1916 54.8732 18.4475 179.7698 117 K 3.9356 8.0956 117.3062 59.6309 32.0298 179.4290 118 K 4.1722 7.7448 118.1821 58.8302 31.9947 177.6451 119 R 4.5863 7.3065 115.3253 54.6208 31.0125 175.6429 120 G 3.8741 8.5350 106.9504 46.7135 0.0000 173.7743 121 L 4.6598 8.2669 118.7753 52.4784 43.9492 176.8920 122 G 4.1111 8.1829 111.1163 44.0315 0.0000 172.2520 123 G 3.9741 8.0792 104.3154 46.0080 0.0000 171.2131 124 R 5.0119 7.9348 119.3694 54.2585 32.7384 175.9225 125 L 4.3447 8.9874 124.9034 54.8623 42.3140 177.6075 126 L 4.5481 8.7778 122.1774 55.6294 45.3296 175.8490 127 A 4.8477 7.3697 118.2651 51.3260 22.6878 174.3870 128 Y 5.2584 7.7452 115.9437 55.8396 42.1174 175.0335 129 V 4.5410 8.6328 120.0190 62.0518 35.4823 173.7449 130 Y 4.5461 8.0743 125.5271 57.4370 37.9809 174.6046 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 S 8.33 4.44 0.00 3.99 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 3 L 8.21 4.05 0.00 1.72 1.64 0.92 0.61 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 4 M 8.16 4.25 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 5 D 8.61 4.46 0.00 2.88 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 6 P 0.00 4.17 0.00 2.18 2.20 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 7 L 7.88 3.87 0.00 1.71 1.60 0.82 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 8 A 8.11 3.86 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 9 N 8.56 4.13 0.00 2.80 3.04 0.00 0.00 7.16 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 10 A 8.20 4.02 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 11 L 8.05 3.90 0.00 1.66 1.52 0.72 0.41 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 12 N 8.29 4.25 0.00 2.74 2.75 0.00 0.00 6.92 8.56 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 13 H 8.05 4.14 0.00 3.32 3.35 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.70 3.64 1.80 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.05 0.86 0.00 0.00 15 S 7.99 4.02 0.00 3.98 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 0.00 16 N 8.28 4.35 0.00 2.79 2.85 0.00 0.00 7.15 7.28 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 17 C 8.56 4.45 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.24 3.94 0.00 2.21 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 0.00 2.37 2.36 0.00 19 R 7.74 3.90 0.00 1.85 2.17 0.00 3.32 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 20 V 8.02 3.81 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 0.88 0.00 0.00 0.98 0.00 0.00 21 G 7.68 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 22 K 7.90 4.14 0.00 1.91 1.79 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.43 7.81 23 K 8.39 4.47 0.00 1.72 1.83 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.43 7.81 24 V 7.44 4.80 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 0.59 0.00 0.00 0.94 0.00 0.00 25 V 8.31 4.66 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 0.78 0.00 0.00 0.96 0.00 0.00 26 Y 8.74 4.98 0.00 2.80 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 27 I 9.01 3.93 2.05 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 1.26 1.03 1.00 0.00 0.00 28 K 9.16 4.09 0.00 1.76 1.67 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.46 7.81 29 P 0.00 4.19 0.00 2.07 2.04 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 30 A 7.68 4.92 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 31 S 7.75 4.50 0.00 4.11 4.06 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 32 K 8.56 4.08 0.00 1.88 1.92 0.00 1.54 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.57 7.81 33 L 7.93 3.93 0.00 1.71 1.67 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.74 3.72 2.23 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.55 0.84 0.00 0.00 35 G 8.29 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.13 3.97 0.00 1.98 1.99 0.00 3.17 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 37 V 7.77 3.65 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 0.88 0.00 0.00 0.89 0.00 0.00 38 L 7.53 3.61 0.00 0.60 0.27 -0.32 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.89 4.31 0.00 2.11 2.00 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.71 7.81 40 V 7.21 3.98 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 0.95 0.00 0.00 0.99 0.00 0.00 *42 Q 8.01 4.46 0.00 2.41 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.65 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 43 D 8.25 4.48 0.00 2.73 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 44 N 8.06 4.84 0.00 3.10 3.06 0.00 0.00 6.76 8.49 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 45 G 8.64 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 0.00 0.00 0.00 46 Y 7.44 4.37 0.00 3.09 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 47 I 7.40 4.70 1.89 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.53 0.91 0.00 0.00 48 G 8.44 4.25 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 49 E 9.70 4.59 0.00 2.01 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 2.31 2.37 0.00 50 F 8.18 6.03 0.00 3.00 2.92 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 51 E 8.80 4.87 0.00 2.06 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 2.28 2.35 0.00 52 F 9.09 4.64 0.00 3.12 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 53 I 8.01 4.23 1.69 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 1.10 0.99 0.83 0.00 0.00 54 E 8.60 4.12 0.00 2.09 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 0.00 2.35 2.38 0.00 55 D 8.39 4.66 0.00 2.69 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 0.00 0.00 0.00 0.00 56 G 9.71 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 0.00 0.00 0.00 57 R 7.68 4.48 0.00 2.00 0.92 0.00 3.13 0.00 0.00 3.21 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 58 A 8.83 4.17 1.31 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 59 G 9.18 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 60 I 7.13 4.88 1.73 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.65 1.09 0.00 0.00 61 F 9.13 5.38 0.00 3.00 2.87 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 0.00 0.00 0.00 62 K 9.13 4.25 0.00 1.68 1.63 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.74 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.02 0.35 7.81 63 V 8.51 4.74 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 0.83 0.00 0.00 0.86 0.00 0.00 64 E 9.50 4.43 0.00 2.05 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 2.31 2.29 0.00 65 L 8.12 4.76 0.00 1.69 1.77 1.00 1.19 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 66 I 7.89 4.59 1.87 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 1.36 0.66 0.92 0.00 0.00 67 G 8.48 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 0.00 0.00 0.00 68 K 8.21 4.46 0.00 1.93 1.75 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.55 7.81 69 I 7.87 4.58 1.89 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 1.60 0.80 0.85 0.00 0.00 70 N 8.53 4.77 0.00 2.77 2.92 0.00 0.00 6.84 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 71 K 6.99 4.39 0.00 1.62 0.80 0.00 1.84 0.00 0.00 2.01 0.00 0.00 3.25 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.17 7.81 72 C 7.78 4.72 0.00 2.93 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 73 G 6.60 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 74 A 8.32 4.65 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 75 I 7.95 4.25 1.66 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.37 0.86 0.00 0.00 76 K 8.41 4.33 0.00 1.65 1.58 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.23 1.34 7.81 77 P 0.00 4.31 0.00 1.44 1.77 0.00 2.79 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.95 0.00 78 R 7.60 4.52 0.00 1.57 1.85 0.00 3.20 0.00 0.00 3.70 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.36 0.00 79 F 7.75 4.43 0.00 2.67 2.84 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 0.00 0.00 0.00 80 P 0.00 4.97 0.00 2.10 2.06 0.00 3.95 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 81 V 9.08 4.50 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 0.41 0.00 0.00 0.62 0.00 0.00 82 K 8.49 4.46 0.00 1.81 1.65 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.40 7.81 83 K 8.35 4.15 0.00 1.45 1.74 0.00 1.23 0.00 0.00 1.33 0.00 0.00 2.13 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.99 0.21 7.81 84 F 7.92 5.32 0.00 3.05 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 85 G 7.87 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 0.00 0.00 0.00 86 Y 8.10 4.52 0.00 3.20 3.17 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 0.00 0.00 0.00 0.00 87 E 8.47 4.28 0.00 2.11 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 2.39 2.29 0.00 88 K 8.09 3.69 0.00 1.62 1.34 0.00 0.61 0.00 0.00 1.14 0.00 0.00 2.71 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.01 1.22 7.81 89 F 7.85 4.41 0.00 3.44 3.30 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 90 E 8.80 4.11 0.00 2.16 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 2.34 2.65 0.00 91 K 7.98 4.08 0.00 1.65 1.79 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.58 7.81 92 R 7.35 3.84 0.00 1.67 1.74 0.00 2.96 0.00 0.00 2.96 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.16 0.00 93 Y 7.98 4.58 0.00 3.07 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 94 L 7.67 4.42 0.00 1.80 1.68 1.04 0.94 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 95 P 0.00 3.94 0.00 1.76 2.03 0.00 2.62 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 96 A 7.03 4.53 1.23 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 0.00 0.00 0.00 97 R 8.29 4.13 0.00 1.81 1.87 0.00 3.37 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 1.62 1.59 0.00 98 D 9.19 4.71 0.00 2.43 2.50 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 99 F 7.95 4.89 0.00 3.09 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 0.00 100 G 10.25 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 0.00 0.00 0.00 0.00 101 I 8.60 4.94 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 1.20 0.76 1.13 0.00 0.00 102 L 8.56 5.11 0.00 1.58 1.65 1.15 0.87 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 0.00 103 I 8.87 4.71 1.80 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.62 0.86 0.00 0.00 104 V 8.37 4.84 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 0.85 0.00 0.00 1.08 0.00 0.00 105 S 9.28 4.95 0.00 3.86 3.76 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 0.00 106 T 8.54 4.91 4.26 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 1.31 0.00 0.00 107 T 8.68 3.88 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 1.21 0.00 0.00 108 Q 7.90 4.38 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.58 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 109 G 8.07 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 0.00 110 V 8.11 4.44 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 0.99 0.00 0.00 0.91 0.00 0.00 *112 S 8.24 4.48 0.00 4.14 4.04 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 0.00 113 H 8.94 3.90 0.00 2.55 3.45 0.00 5.27 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 7.72 3.67 0.00 1.88 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 2.09 2.23 0.00 115 E 7.99 4.01 0.00 1.96 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 2.28 2.30 0.00 116 A 7.73 3.99 1.38 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 0.00 0.00 117 K 8.10 3.94 0.00 1.88 1.93 0.00 1.89 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.28 7.81 118 K 7.74 4.17 0.00 1.81 2.08 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.55 7.81 119 R 7.31 4.59 0.00 1.76 1.90 0.00 3.42 0.00 0.00 3.32 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 120 G 8.53 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.27 4.66 0.00 1.63 1.60 0.93 0.68 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 0.00 122 G 8.18 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 0.00 0.00 0.00 123 G 8.08 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 0.00 0.00 0.00 124 R 7.93 5.01 0.00 1.67 1.78 0.00 3.41 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 125 L 8.99 4.34 0.00 1.44 1.47 0.14 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.78 4.55 0.00 1.47 1.55 0.87 0.35 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 0.00 127 A 7.37 4.85 1.02 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 0.00 0.00 0.00 128 Y 7.75 5.26 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 8.63 4.54 1.57 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 0.15 0.00 0.00 0.70 0.00 0.00 130 Y 8.07 4.55 0.00 3.17 2.92 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 * Residues marked with a * may have inaccurate shift predictions.