NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.6763 8.4549 120.6377 56.5522 44.7913 172.7612 2 T 4.5872 8.4912 123.0545 61.4188 71.0022 172.7009 3 C 5.0184 8.4868 123.2661 54.8457 44.5966 173.6714 4 V 4.0488 8.3309 123.5710 59.8578 31.4830 174.3140 5 P 4.3902 0.0000 0.0000 61.7171 31.6842 174.5516 6 P 4.5249 0.0000 0.0000 62.3521 32.5241 176.1760 7 H 4.2561 8.6958 120.8041 55.4839 31.6398 174.2675 8 P 3.4024 0.0000 0.0000 65.9948 31.0542 178.2491 9 Q 2.7770 7.5000 115.7887 59.3163 28.4864 178.9403 10 T 3.8656 7.5750 112.9275 64.7312 67.5818 176.2283 11 A 4.0587 7.8294 122.9472 54.6711 18.1151 179.3749 12 F 4.0718 7.6842 118.3271 61.8437 39.5900 176.5289 13 C 4.5667 7.7442 114.2459 59.9337 40.0584 175.5551 14 N 4.4560 7.7974 117.6518 55.3765 38.4982 176.3083 15 S 4.4252 7.4277 114.6941 58.7072 63.6218 173.5584 16 D 4.6907 8.7014 122.0378 55.3477 42.2990 177.0687 17 L 5.2732 7.6806 117.7138 51.3740 44.7276 177.7280 18 V 5.4759 8.1969 120.1062 59.4446 30.5145 175.0297 19 I 4.5636 7.6726 119.0377 61.1970 40.4731 177.0403 20 R 5.1545 9.1956 123.3964 55.1962 31.8931 175.2940 21 A 5.0220 9.1274 126.9587 50.5767 23.7145 175.3500 22 K 5.2149 8.7540 122.0599 53.4310 35.6049 175.5666 23 F 4.3952 9.1708 123.6792 56.6696 39.0285 175.6462 24 V 3.7016 9.0648 126.0514 65.4639 31.3721 176.4067 25 G 4.1235 7.5568 106.9686 44.5632 0.0000 171.7484 26 T 4.0110 8.4665 109.5692 60.7934 69.2125 172.0419 27 P 4.0767 0.0000 0.0000 63.7878 31.9260 175.8626 28 E 4.5278 8.8553 121.7995 55.4654 31.3263 173.5483 29 V 4.4625 8.2801 123.9816 59.0272 34.1188 175.1125 30 N 4.7099 8.8739 124.2426 51.5014 39.3440 174.8727 31 Q 4.8248 8.2247 129.6111 56.2530 29.0665 177.1410 32 T 4.5858 7.8275 110.4023 61.5584 68.2401 173.4829 33 T 4.4739 7.8770 113.1279 60.7372 68.8334 173.7379 34 L 3.7229 7.9298 119.3003 56.8897 39.5437 173.1561 35 Y 4.9566 7.3454 112.1637 56.4325 41.6982 174.8146 36 Q 5.1099 9.3261 121.1897 54.6421 33.1604 173.6540 37 R 4.9118 8.8393 120.8452 54.6020 33.2850 173.2751 38 Y 4.8612 8.7904 119.7234 56.0723 40.5529 174.5845 39 E 4.0870 8.9651 126.1267 55.8868 30.9434 175.0730 40 I 4.5823 8.3181 123.6218 59.5457 40.6440 175.7273 *41 K 4.6281 9.0451 130.3611 53.9861 31.8515 172.9771 42 M 4.3411 8.3459 126.7929 55.3476 32.5840 174.6896 43 T 4.4543 8.9769 117.4103 63.3141 70.7296 175.1312 44 K 4.5204 7.5785 124.9777 52.6650 36.4060 175.9799 45 M 4.7237 8.2741 122.2250 53.8179 33.8095 174.7402 46 Y 4.7993 8.1472 122.7592 58.6556 40.6812 175.8498 47 K 4.5111 7.8189 118.4734 54.4387 35.5862 175.1549 48 G 3.8281 10.1108 115.1888 44.6380 0.0000 174.9090 *49 F 3.6191 8.6661 117.8524 57.0789 34.9486 173.3059 *50 Q 5.5560 7.4019 127.5733 56.1199 30.8068 175.8162 51 A 4.3629 7.9272 122.2545 53.8745 18.1499 179.3566 *52 L 4.1181 8.1919 117.9123 55.7990 41.6504 181.4309 53 G 4.4559 7.8464 106.3415 45.1517 0.0000 174.3187 *54 D 4.8610 10.0916 119.7204 52.9312 36.8944 171.8364 55 A 4.7618 8.1029 119.1863 53.1441 22.6362 177.0071 56 A 4.4609 7.8862 127.4891 50.5777 18.7902 180.9769 *57 D 3.8441 8.4871 113.8022 56.7840 40.2784 172.9162 58 I 4.1173 7.3564 129.7867 60.3351 37.7518 175.2451 59 R 4.7850 8.2449 125.8116 54.3617 32.4726 173.6683 60 F 5.2660 8.1376 115.3549 55.5836 42.5491 174.1322 61 V 4.5675 8.6848 123.9362 60.3988 33.4643 174.5850 62 Y 5.1643 9.0729 122.7989 57.1078 40.4989 174.5559 63 T 5.1554 9.0646 114.8788 61.1888 71.7105 171.0195 64 P 3.6284 0.0000 0.0000 62.7230 31.9652 177.2537 65 A 4.0388 8.6648 125.1055 54.4454 19.3121 177.9199 66 M 4.5628 7.8413 115.6278 53.5446 33.9080 176.7080 67 E 4.3262 9.0458 124.2191 58.6187 30.0724 178.9624 68 S 4.1573 8.0638 112.6523 60.5800 63.1769 174.9167 69 V 4.1887 7.7064 118.5899 61.6775 31.5786 176.6973 70 C 4.0343 7.7599 115.1289 58.8967 37.4530 173.1796 71 G 4.3450 8.0801 109.6888 45.1678 0.0000 172.9823 72 Y 4.3846 9.2088 127.6919 57.4532 39.0123 174.6830 73 F 4.3500 8.3083 126.5030 55.5164 40.2841 174.9774 74 H 3.5105 8.1876 126.5438 55.8069 29.7674 175.5587 75 R 4.3354 7.6735 126.7799 54.0808 29.5230 173.9709 76 S 4.4647 7.7775 116.8307 57.7664 65.2509 174.0664 *77 H 4.3378 8.7988 128.3871 57.8934 28.4275 172.7520 78 N 4.6469 7.9190 117.7564 52.4246 38.0795 177.3824 79 R 4.5148 8.5060 119.3292 56.6089 31.2117 177.1996 80 S 4.5649 7.9921 110.5168 57.8627 62.6706 173.3010 81 E 4.1374 8.0729 120.4927 56.7760 30.2326 175.4947 82 E 4.7812 8.6427 125.2997 55.8436 31.3841 175.2632 83 F 5.2726 9.7974 122.4721 55.5371 43.4217 174.2138 84 L 4.8168 9.4470 125.6297 54.6146 43.0991 175.3385 85 I 4.5948 8.8524 128.7921 60.0324 38.8702 174.9618 86 A 4.8491 8.7258 130.0392 49.9534 19.9188 174.7315 87 G 4.2996 9.1039 107.9041 44.9669 0.0000 169.2081 88 K 4.8360 8.6250 118.6034 54.8565 34.5128 176.3489 89 L 4.7718 8.9993 126.4611 53.9820 42.8005 175.6056 90 Q 4.5077 8.7548 128.7380 55.4397 31.7731 176.2833 *91 D 4.6342 9.4982 123.6447 53.7883 37.8697 171.2898 92 G 4.2231 8.8232 102.4537 45.4888 0.0000 172.2623 93 L 4.6874 7.9220 120.5086 52.1700 44.0942 175.4001 94 L 4.6094 8.5737 125.1446 55.5784 43.1920 175.1210 95 H 5.6798 9.7274 123.8113 54.4773 32.0748 173.5804 96 I 5.1196 9.0180 121.2049 60.2689 42.2786 173.9636 97 T 4.9842 9.0797 114.2071 60.0790 72.0773 174.6962 98 T 4.1236 8.9997 117.9169 67.0594 68.4737 175.8214 99 C 4.5677 7.9126 116.7322 58.2459 40.7405 174.4183 100 S 4.3724 7.6762 116.1880 58.1964 62.9403 174.1768 101 F 4.3513 8.7847 126.1306 58.0000 39.6437 173.9977 102 V 5.1926 8.2184 125.4364 59.9508 33.7599 174.3616 103 A 4.9185 8.4395 128.8649 49.2456 22.8733 173.3846 104 P 3.9468 0.0000 0.0000 62.1712 32.0996 177.2316 105 W 4.2518 9.2347 132.4414 60.7573 30.7709 178.0335 106 N 4.3423 8.1235 114.1264 55.8032 38.1357 176.2617 107 S 4.2605 7.4735 111.7638 59.7682 63.5940 174.7849 108 L 4.2495 7.1162 121.8483 54.3130 41.9427 177.5293 109 S 4.4017 8.7665 117.8784 57.5646 65.3557 175.3258 110 L 3.8249 8.2583 122.3405 58.2035 41.7501 178.5647 111 A 3.9363 7.8489 120.2928 55.0664 18.2413 179.5705 112 Q 4.1694 7.5706 116.5600 58.7777 27.3170 179.1186 113 R 3.7468 8.3056 121.7037 59.4088 29.5689 179.6820 *114 R 4.3940 8.1117 120.4153 60.3473 29.4732 183.0543 115 G 2.4531 7.4000 104.5231 47.8385 0.0000 175.9096 116 F 4.2249 7.3200 118.5109 59.6919 38.9409 177.8279 117 T 4.2857 7.3911 116.9330 65.0721 69.5802 175.6603 *118 K 5.3569 6.2025 127.1774 55.5536 35.2444 175.6892 119 T 4.3832 6.4097 118.4972 64.6973 72.5166 176.8921 120 Y 4.1272 7.0488 118.7081 60.9029 37.0368 178.3283 121 T 4.0849 7.4369 116.5770 66.7051 68.2852 176.4397 122 V 3.7775 7.3608 119.4158 65.6642 31.6710 177.6898 123 G 3.7833 7.7580 102.8510 46.0149 0.0000 173.4283 124 C 4.6413 7.7424 122.6979 57.1360 41.6027 173.1122 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 1 C 8.45 4.68 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 2 T 8.49 4.59 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 1.22 0.00 0.00 3 C 8.49 5.02 0.00 2.95 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 4 V 8.33 4.05 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 0.76 0.00 0.00 0.96 0.00 0.00 5 P 0.00 4.39 0.00 2.14 2.11 0.00 3.72 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 6 P 0.00 4.52 0.00 2.27 2.13 0.00 3.96 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.23 0.00 7 H 8.70 4.26 0.00 3.19 3.11 0.00 5.71 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 8 P 0.00 3.40 0.00 1.66 1.69 0.00 3.07 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.87 0.00 9 Q 7.50 2.78 0.00 1.86 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.91 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 10 T 7.57 3.87 4.19 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 1.26 0.00 0.00 11 A 7.83 4.06 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 12 F 7.68 4.07 0.00 3.00 3.12 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 0.00 0.00 0.00 13 C 7.74 4.57 0.00 3.17 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 14 N 7.80 4.46 0.00 2.70 2.90 0.00 0.00 7.07 7.50 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 15 S 7.43 4.43 0.00 3.88 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 16 D 8.70 4.69 0.00 2.55 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 17 L 7.68 5.27 0.00 1.60 1.54 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.20 5.48 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 0.99 0.00 0.00 1.00 0.00 0.00 19 I 7.67 4.56 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.80 0.89 0.00 0.00 20 R 9.20 5.15 0.00 1.46 1.82 0.00 3.28 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.42 0.00 21 A 9.13 5.02 1.06 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 0.00 0.00 22 K 8.75 5.21 0.00 1.41 1.63 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 1.25 7.81 23 F 9.17 4.40 0.00 2.74 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 24 V 9.06 3.70 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 0.70 0.00 0.00 0.88 0.00 0.00 25 G 7.56 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.47 4.01 4.22 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 1.23 0.00 0.00 27 P 0.00 4.08 0.00 1.65 0.68 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 28 E 8.86 4.53 0.00 1.67 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 2.20 2.12 0.00 29 V 8.28 4.46 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 0.83 0.00 0.00 0.91 0.00 0.00 30 N 8.87 4.71 0.00 2.89 2.81 0.00 0.00 6.89 6.01 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 31 Q 8.22 4.82 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.65 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 32 T 7.83 4.59 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 1.27 0.00 0.00 33 T 7.88 4.47 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 1.37 0.00 0.00 34 L 7.93 3.72 0.00 1.94 1.71 0.94 0.87 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 35 Y 7.35 4.96 0.00 2.89 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 36 Q 9.33 5.11 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.76 0.00 0.00 0.00 0.00 0.00 1.86 1.88 0.00 37 R 8.84 4.91 0.00 1.16 1.24 0.00 2.21 0.00 0.00 2.67 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.30 0.00 38 Y 8.79 4.86 0.00 3.00 3.02 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 39 E 8.97 4.09 0.00 2.02 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 2.01 1.48 0.00 40 I 8.32 4.58 1.49 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 0.83 0.77 0.01 0.00 0.00 *41 K 9.05 4.63 0.00 1.42 1.78 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.33 1.25 7.81 42 M 8.35 4.34 0.00 1.92 1.89 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 43 T 8.98 4.45 4.12 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 0.00 0.00 1.14 0.00 0.00 44 K 7.58 4.52 0.00 1.40 1.63 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.74 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 0.98 7.81 45 M 8.27 4.72 0.00 1.87 1.84 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 46 Y 8.15 4.80 0.00 3.40 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 47 K 7.82 4.51 0.00 1.72 1.41 0.00 1.51 0.00 0.00 1.73 0.00 0.00 2.66 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.49 1.38 7.81 48 G 10.11 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 0.00 0.00 0.00 *49 F 8.67 3.62 0.00 2.40 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 0.00 0.00 0.00 0.00 *50 Q 7.40 5.56 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.48 0.00 0.00 0.00 0.00 0.00 2.05 1.65 0.00 51 A 7.93 4.36 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 *52 L 8.19 4.12 0.00 1.67 1.50 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.85 4.46 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 0.00 *54 D 10.09 4.86 0.00 2.87 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 0.00 0.00 0.00 55 A 8.10 4.76 1.20 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 0.00 0.00 56 A 7.89 4.46 0.96 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 0.00 0.00 *57 D 8.49 3.84 0.00 2.78 2.45 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 58 I 7.36 4.12 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.09 0.86 0.00 0.00 59 R 8.24 4.78 0.00 1.76 1.62 0.00 3.02 0.00 0.00 3.05 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.66 0.00 60 F 8.14 5.27 0.00 2.93 2.33 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.68 4.57 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 0.73 0.00 0.00 1.03 0.00 0.00 62 Y 9.07 5.16 0.00 2.75 2.96 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 63 T 9.06 5.16 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 1.54 0.00 0.00 64 P 0.00 3.63 0.00 2.08 1.64 0.00 3.68 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.75 0.00 65 A 8.66 4.04 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 66 M 7.84 4.56 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.47 0.00 67 E 9.05 4.33 0.00 1.19 1.65 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 2.23 2.05 0.00 68 S 8.06 4.16 0.00 4.00 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 69 V 7.71 4.19 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 0.78 0.00 0.00 0.94 0.00 0.00 70 C 7.76 4.03 0.00 3.26 3.43 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 71 G 8.08 4.34 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 0.00 72 Y 9.21 4.38 0.00 2.98 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 73 F 8.31 4.35 0.00 2.85 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 74 H 8.19 3.51 0.00 2.18 2.93 0.00 5.91 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.67 4.34 0.00 1.68 1.77 0.00 3.37 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.42 0.00 76 S 7.78 4.46 0.00 3.66 3.54 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 *77 H 8.80 4.34 0.00 2.97 2.91 0.00 7.26 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 78 N 7.92 4.65 0.00 2.73 2.64 0.00 0.00 6.59 7.66 0.00 0.00 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 R 8.51 4.51 0.00 1.84 2.08 0.00 3.40 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 80 S 7.99 4.56 0.00 3.86 3.90 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 0.00 0.00 0.00 81 E 8.07 4.14 0.00 2.07 2.13 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 1.83 2.23 0.00 82 E 8.64 4.78 0.00 2.02 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 2.38 2.35 0.00 83 F 9.80 5.27 0.00 3.34 3.12 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 0.00 0.00 0.00 84 L 9.45 4.82 0.00 1.88 1.84 0.80 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.85 4.59 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.79 0.90 0.00 0.00 86 A 8.73 4.85 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.10 4.30 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 0.00 88 K 8.62 4.84 0.00 1.77 1.76 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.42 1.55 7.81 89 L 9.00 4.77 0.00 1.63 1.73 0.94 0.84 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 90 Q 8.75 4.51 0.00 2.07 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 5.54 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 *91 D 9.50 4.63 0.00 2.87 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.82 4.22 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 0.00 0.00 0.00 93 L 7.92 4.69 0.00 1.35 1.16 -0.05 0.26 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 94 L 8.57 4.61 0.00 1.83 1.64 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 95 H 9.73 5.68 0.00 3.30 3.30 0.00 5.83 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 96 I 9.02 5.12 1.91 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 1.27 1.20 0.75 0.00 0.00 97 T 9.08 4.98 4.44 0.00 0.00 0.00 0.00 0.00 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 98 T 9.00 4.12 4.33 0.00 0.00 0.00 0.00 0.00 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 99 C 7.91 4.57 0.00 2.98 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 0.00 100 S 7.68 4.37 0.00 3.97 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 0.00 101 F 8.78 4.35 0.00 3.19 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 0.00 102 V 8.22 5.19 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 1.05 0.00 0.00 0.54 0.00 0.00 103 A 8.44 4.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 3.95 0.00 1.95 1.42 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.83 0.00 105 W 9.23 4.25 0.00 3.32 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 0.00 106 N 8.12 4.34 0.00 2.73 2.84 0.00 0.00 6.92 7.57 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 0.00 107 S 7.47 4.26 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 0.00 108 L 7.12 4.25 0.00 1.44 1.39 1.07 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.77 4.40 0.00 4.02 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 0.00 110 L 8.26 3.82 0.00 1.68 1.65 0.90 0.84 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 0.00 111 A 7.85 3.94 1.28 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 0.00 0.00 112 Q 7.57 4.17 0.00 2.31 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.28 0.00 113 R 8.31 3.75 0.00 1.67 1.72 0.00 2.68 0.00 0.00 2.89 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.87 0.00 *114 R 8.11 4.39 0.00 1.83 1.93 0.00 3.27 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 115 G 7.40 2.45 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 0.00 0.00 0.00 116 F 7.32 4.22 0.00 2.86 2.65 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 0.00 117 T 7.39 4.29 4.37 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 1.32 0.00 0.00 *118 K 6.20 5.36 0.00 1.86 1.64 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.14 1.03 7.81 119 T 6.41 4.38 3.64 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 1.03 0.00 0.00 120 Y 7.05 4.13 0.00 1.43 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 0.00 0.00 0.00 0.00 121 T 7.44 4.08 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 1.36 0.00 0.00 122 V 7.36 3.78 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 0.79 0.00 0.00 0.90 0.00 0.00 123 G 7.76 3.78 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 0.00 0.00 0.00 124 C 7.74 4.64 0.00 3.20 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 * Residues marked with a * may have inaccurate shift predictions.