NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 Q 4.3200 8.3449 118.9868 54.6073 29.4613 174.1816 2 F 4.7790 8.1317 122.5260 54.2108 41.1526 174.0149 3 Q 4.1103 9.3908 127.1757 58.5836 30.0522 176.7694 4 K 4.8032 8.0254 117.4222 51.0017 35.9225 177.1369 5 P 4.3680 0.0000 0.0000 66.9224 30.8068 178.8862 6 G 3.2240 7.8500 104.7584 47.5020 0.0000 175.2556 7 D 4.3395 7.9641 120.8408 57.1027 40.7996 178.5968 8 A 2.5800 7.6045 120.7182 54.6882 18.3568 179.6363 9 I 3.4689 7.4872 118.1749 64.6150 37.2126 178.6044 10 E 3.9991 8.2652 119.5181 59.3282 29.1699 178.8754 11 Y 3.9954 8.0510 119.8681 60.6236 38.8630 178.2617 12 R 3.7255 8.0954 117.1981 59.3242 29.4529 178.5424 13 Q 4.1867 8.1289 118.9867 58.9225 28.7575 179.2896 14 S 4.0798 8.1761 115.6480 61.5471 62.7777 176.7112 15 A 3.8089 7.8467 123.4107 55.0974 18.0079 179.5826 16 F 4.3636 8.0934 116.4775 61.1042 38.9730 177.9484 17 T 3.9516 8.2561 115.3415 66.8326 68.3225 176.6827 18 L 4.0917 7.9854 120.7722 57.6459 41.5704 179.4566 19 I 3.8021 8.1645 119.8953 64.5712 37.1400 178.2402 20 A 4.1843 8.5044 121.8025 55.1585 18.1282 179.2477 21 N 4.2537 8.2885 115.4670 57.3422 38.8125 176.9853 22 H 4.2003 8.3802 117.6435 58.6920 28.7043 177.5409 23 F 4.4280 8.9304 123.1982 61.4206 39.2625 177.4954 24 G 3.5255 8.4535 105.2325 47.5832 0.0000 175.9685 25 R 3.9404 7.7236 120.1620 59.0994 30.0781 179.2561 26 V 3.6521 7.4902 117.5413 65.9388 31.4748 177.9016 27 A 3.7425 7.9118 120.6411 54.9883 18.0416 179.4255 28 A 3.9103 7.9951 119.2597 55.4720 18.4272 179.8204 29 M 4.3810 7.9909 116.9454 58.1876 31.9241 178.8506 30 A 3.6164 7.7858 119.3999 54.8629 18.5979 178.8035 31 Q 4.3274 8.2050 113.9206 55.6463 29.0435 176.5818 32 G 3.9337 7.9757 108.1616 46.4214 0.0000 174.7581 33 K 4.3608 8.1862 118.1785 56.1879 32.8861 176.4847 34 A 4.7433 7.4893 120.7837 49.5397 22.2071 173.8045 35 P 4.4376 0.0000 0.0000 62.5672 32.0212 176.0568 36 F 4.7253 8.6460 123.5476 57.6539 40.0354 175.0519 37 D 4.3351 8.1845 126.0678 51.6567 43.4068 175.6248 38 A 3.6032 7.6524 130.0542 54.7199 18.5007 178.8540 39 K 3.8104 7.8256 117.7358 59.6115 32.3516 179.1287 40 V 3.7134 8.1206 118.2867 65.8615 31.3960 177.6175 41 A 4.0010 8.2884 120.7523 55.3355 18.1778 179.4427 42 A 3.9747 8.2415 119.2573 55.3724 18.5011 179.7332 43 E 3.9310 8.2965 117.0321 59.7133 29.4673 179.4255 44 N 4.4451 8.4315 116.6146 56.2314 38.5411 177.5963 45 I 3.7455 8.2582 121.5091 64.3815 37.2029 178.2360 46 A 4.0294 8.4288 121.9891 55.1413 18.0837 179.7667 47 L 3.8856 7.8885 117.3047 57.8746 41.7112 179.6778 48 V 3.6446 8.0522 118.4537 66.1491 31.1984 177.9628 49 S 4.0155 8.2142 111.8696 61.6666 62.1553 175.9474 50 T 4.0102 8.0030 118.3434 66.8195 68.2511 176.7710 51 L 4.0543 8.3605 121.3543 57.4951 41.3781 179.5718 52 S 4.3974 8.0773 113.4173 60.7012 62.9940 175.7241 53 K 4.2933 7.5477 119.7697 56.9824 32.3831 177.6929 54 L 4.6301 7.9373 120.2198 56.1378 42.6662 176.9944 55 P 4.2751 0.0000 0.0000 65.5822 31.3452 177.6299 56 L 4.7280 7.9422 116.2956 55.9375 41.7496 177.2702 57 T 4.3752 8.0000 108.1313 62.3350 69.2021 174.8968 58 A 4.7328 8.1047 125.6332 52.3716 19.7075 176.3972 59 F 5.0052 8.2942 114.7368 58.4015 39.6583 175.5208 60 G 4.1070 7.9195 110.3989 43.8754 0.0000 171.0661 61 P 4.2953 0.0000 0.0000 64.0027 31.5606 176.8802 62 G 3.7821 8.5133 108.3572 46.2190 0.0000 173.6731 63 T 4.4704 7.2298 108.7631 61.2958 69.0181 175.0098 64 D 4.1719 7.4384 120.5816 54.0561 40.1643 175.9788 65 K 4.4402 7.2632 118.1396 55.7577 36.2852 176.5946 66 G 3.7666 8.4738 108.3462 45.9448 0.0000 173.0097 67 H 3.9472 9.2004 111.7767 56.8269 25.9630 176.0306 68 G 3.8986 8.4591 104.5099 46.2140 0.0000 174.4631 69 T 4.0160 7.8709 113.8384 62.2719 67.8860 173.7176 70 E 4.7729 8.7187 125.1322 55.9949 31.3725 175.1098 71 A 4.6998 8.0855 123.1873 51.8697 19.0677 178.5402 72 K 4.3055 9.2431 122.8299 55.4994 33.2638 176.7059 73 P 4.5614 0.0000 0.0000 65.9817 31.1152 178.7534 74 A 4.5875 8.1990 120.2491 54.3212 17.9750 179.3051 75 V 2.5739 7.9094 117.1699 65.4506 30.9478 177.7014 76 W 4.4376 8.1448 116.8675 58.1755 30.1508 178.2669 77 S 4.4824 8.1945 113.1903 59.4484 63.6338 173.2330 78 D 5.0933 8.3484 121.5294 52.3745 41.0924 176.0085 79 A 4.2122 8.2063 125.8260 54.7980 18.8333 179.1910 80 A 4.0382 8.0573 118.9644 55.1444 18.5510 179.9517 81 G 3.7593 8.4139 105.7972 47.3472 0.0000 175.7946 82 F 3.1610 8.1531 123.0345 60.5642 39.2669 177.1514 83 K 3.6915 8.2790 119.3589 59.3060 31.9042 178.5904 84 A 3.9412 8.2104 121.0215 55.1123 18.3037 179.4905 85 A 3.8697 8.0200 119.0480 55.0899 18.3375 179.7298 86 A 3.8062 7.7858 119.5335 55.4448 18.3653 179.6640 87 D 4.2684 8.4366 117.8545 57.1856 40.8392 178.9141 88 K 3.8936 8.2390 120.3984 59.3318 32.1501 178.6467 89 F 4.2351 8.2520 120.6796 61.3271 39.3192 176.7937 90 A 3.6279 8.2966 120.5277 55.1449 18.2589 179.4764 91 A 3.8442 8.1961 119.0705 55.1749 18.3807 179.7538 92 A 3.9088 7.9861 119.3469 55.2927 18.4631 180.0800 93 V 3.3702 7.8630 117.1755 65.9394 31.4458 177.9174 94 D 4.3283 8.1357 118.9114 57.4144 40.6696 179.0222 95 K 3.9868 7.9192 118.5020 59.1589 31.9118 179.2658 96 L 3.9726 8.0448 120.8737 58.1219 42.0352 178.6131 97 D 4.3360 8.5626 119.0486 57.4382 40.8444 178.6344 98 A 3.9800 8.1415 120.8744 55.1992 18.3638 179.5650 99 A 4.0444 8.2535 119.3363 55.2860 18.2499 180.0754 100 G 3.7052 8.3953 106.0257 48.4013 0.0000 176.4158 101 K 4.2044 7.9078 125.4175 59.9258 31.8802 181.5637 102 T 4.3260 7.8064 110.0055 62.3306 68.9364 176.0032 103 G 3.9499 7.9967 108.2202 45.8884 0.0000 173.3036 104 D 4.5476 8.0614 120.4823 53.4284 41.8014 176.1297 105 F 3.4950 8.9013 129.2477 61.3737 39.4124 176.7553 106 A 3.9644 8.1180 119.7467 55.1569 18.2319 179.2491 107 Q 3.8840 8.5447 118.1871 59.1866 29.1186 178.4015 108 I 3.6278 7.9351 121.2991 64.2090 37.1458 178.2988 109 K 3.6726 7.9150 120.5488 59.2789 31.9666 178.6321 110 A 3.9419 8.0273 120.8257 55.2159 18.2764 179.5438 111 A 3.9918 8.1096 119.2747 55.0378 18.3210 179.9818 112 V 3.9064 8.3790 117.5405 66.2166 31.6076 178.5192 113 G 3.6204 8.1327 105.4523 47.7426 0.0000 175.3332 114 E 3.9667 8.2737 121.8619 59.2967 29.7411 179.0179 115 T 3.9705 8.4752 116.3611 66.6541 68.5361 176.7996 116 G 3.8971 8.6959 108.0724 47.9329 0.0000 175.9070 117 G 3.6326 8.3341 107.7375 47.4634 0.0000 175.7207 118 A 4.0127 7.9636 122.9959 54.9748 18.3231 179.4394 119 C 3.6500 8.0012 115.2483 62.8563 28.1585 176.3393 120 K 3.9479 8.1150 121.1910 59.4088 31.9177 179.0602 121 G 3.5699 8.3837 106.4594 47.8128 0.0000 175.3399 122 C 4.3747 7.9831 120.8025 62.5871 31.6474 175.2524 123 H 4.2055 8.3032 117.9401 59.0982 28.0688 177.2604 124 D 4.3565 8.1624 119.7147 57.3112 40.7668 178.6016 125 K 3.9938 7.3721 115.6581 57.1714 32.6891 177.2218 126 F 5.0003 8.2622 114.7949 56.3118 41.6831 174.4537 127 K 5.0297 8.1535 120.3421 54.1424 34.4496 175.6249 128 E 4.0218 9.2327 130.3424 56.8579 30.2196 177.9852 *129 K 4.0961 8.5220 124.0118 54.8866 32.5255 173.6957 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 Q 8.34 4.32 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.67 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 2 F 8.13 4.78 0.00 3.06 2.89 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 3 Q 9.39 4.11 0.00 2.49 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.80 0.00 0.00 0.00 0.00 0.00 2.36 1.92 0.00 4 K 8.03 4.80 0.00 1.61 1.61 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 1.20 7.81 5 P 0.00 4.37 0.00 2.18 2.46 0.00 3.66 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 6 G 7.85 3.22 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 7 D 7.96 4.34 0.00 2.98 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 8 A 7.60 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.49 3.47 1.91 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 1.48 0.87 0.93 0.00 0.00 10 E 8.27 4.00 0.00 2.08 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 2.34 2.42 0.00 11 Y 8.05 4.00 0.00 3.17 2.81 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 0.00 0.00 0.00 12 R 8.10 3.73 0.00 1.90 1.93 0.00 2.21 0.00 0.00 2.79 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 13 Q 8.13 4.19 0.00 2.36 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.84 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 14 S 8.18 4.08 0.00 3.91 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 15 A 7.85 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.09 4.36 0.00 3.27 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 17 T 8.26 3.95 4.45 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 1.25 0.00 0.00 18 L 7.99 4.09 0.00 1.85 1.78 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.16 3.80 2.17 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 1.56 0.81 1.07 0.00 0.00 20 A 8.50 4.18 1.47 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 0.00 0.00 21 N 8.29 4.25 0.00 2.80 2.81 0.00 0.00 7.24 8.04 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 22 H 8.38 4.20 0.00 3.33 3.41 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 8.93 4.43 0.00 3.18 3.22 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 24 G 8.45 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.72 3.94 0.00 2.00 1.99 0.00 3.34 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 26 V 7.49 3.65 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 0.98 0.00 0.00 1.03 0.00 0.00 27 A 7.91 3.74 0.99 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 0.00 0.00 28 A 8.00 3.91 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 29 M 7.99 4.38 0.00 2.53 2.41 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 2.87 2.73 0.00 30 A 7.79 3.62 1.14 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 0.00 0.00 31 Q 8.21 4.33 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.29 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 32 G 7.98 3.93 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 0.00 33 K 8.19 4.36 0.00 1.89 1.87 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.38 7.81 34 A 7.49 4.74 1.24 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 0.00 0.00 0.00 35 P 0.00 4.44 0.00 2.08 2.03 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 36 F 8.65 4.73 0.00 2.93 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 37 D 8.18 4.34 0.00 2.59 2.37 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 38 A 7.65 3.60 1.17 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 0.00 0.00 39 K 7.83 3.81 0.00 1.78 1.90 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.47 7.81 40 V 8.12 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 0.96 0.00 0.00 1.00 0.00 0.00 41 A 8.29 4.00 1.47 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 0.00 0.00 42 A 8.24 3.97 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 43 E 8.30 3.93 0.00 2.21 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 2.33 2.47 0.00 44 N 8.43 4.45 0.00 2.78 3.10 0.00 0.00 7.06 6.77 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 45 I 8.26 3.75 2.09 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 1.53 0.84 1.00 0.00 0.00 46 A 8.43 4.03 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 47 L 7.89 3.89 0.00 1.86 1.61 0.70 0.72 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 48 V 8.05 3.64 2.30 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 1.06 0.00 0.00 1.16 0.00 0.00 49 S 8.21 4.02 0.00 4.04 4.01 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 50 T 8.00 4.01 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 1.21 0.00 0.00 51 L 8.36 4.05 0.00 1.73 1.71 0.97 0.65 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 52 S 8.08 4.40 0.00 3.86 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 53 K 7.55 4.29 0.00 1.93 1.91 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.62 7.81 54 L 7.94 4.63 0.00 1.71 1.83 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.28 0.00 1.30 1.55 0.00 3.85 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 1.80 1.27 0.00 56 L 7.94 4.73 0.00 1.75 1.78 0.99 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 57 T 8.00 4.38 4.35 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 1.34 0.00 0.00 58 A 8.10 4.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.29 5.01 0.00 2.94 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 60 G 7.92 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 61 P 0.00 4.30 0.00 2.21 2.14 0.00 3.94 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 62 G 8.51 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 63 T 7.23 4.47 4.21 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 0.00 0.00 0.00 1.20 0.00 0.00 64 D 7.44 4.17 0.00 1.94 1.54 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 65 K 7.26 4.44 0.00 1.87 1.63 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 0.98 7.81 66 G 8.47 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 67 H 9.20 3.95 0.00 3.30 3.39 0.00 5.78 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.46 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 0.00 0.00 0.00 69 T 7.87 4.02 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 1.32 0.00 0.00 70 E 8.72 4.77 0.00 1.96 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 0.00 2.31 2.45 0.00 71 A 8.09 4.70 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.24 4.31 0.00 1.87 1.80 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.51 7.81 73 P 0.00 4.56 0.00 2.24 2.21 0.00 3.68 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 74 A 8.20 4.59 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 75 V 7.91 2.57 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 0.00 0.00 -1.50 0.00 0.00 0.29 0.00 0.00 76 W 8.14 4.44 0.00 3.47 3.13 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 77 S 8.19 4.48 0.00 4.12 4.21 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 0.00 0.00 0.00 0.00 78 D 8.35 5.09 0.00 2.82 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 79 A 8.21 4.21 1.33 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 0.00 0.00 80 A 8.06 4.04 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 81 G 8.41 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 0.00 0.00 0.00 82 F 8.15 3.16 0.00 2.16 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 83 K 8.28 3.69 0.00 1.80 1.89 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.40 7.81 84 A 8.21 3.94 1.39 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 0.00 0.00 0.00 85 A 8.02 3.87 1.30 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 86 A 7.79 3.81 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 87 D 8.44 4.27 0.00 2.75 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 88 K 8.24 3.89 0.00 1.91 2.00 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 89 F 8.25 4.24 0.00 3.00 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 90 A 8.30 3.63 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 91 A 8.20 3.84 1.35 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 92 A 7.99 3.91 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 93 V 7.86 3.37 1.76 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 0.77 0.00 0.00 0.11 0.00 0.00 94 D 8.14 4.33 0.00 2.89 2.66 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 0.00 0.00 0.00 0.00 95 K 7.92 3.99 0.00 2.05 1.84 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.31 7.81 96 L 8.04 3.97 0.00 1.78 1.82 1.04 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.56 4.34 0.00 2.91 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 98 A 8.14 3.98 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 99 A 8.25 4.04 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 0.00 100 G 8.40 3.71 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 0.00 0.00 0.00 101 K 7.91 4.20 0.00 1.89 1.74 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.32 7.81 102 T 7.81 4.33 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 1.28 0.00 0.00 103 G 8.00 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 0.00 0.00 0.00 104 D 8.06 4.55 0.00 2.82 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 0.00 105 F 8.90 3.49 0.00 2.46 2.79 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 0.00 0.00 0.00 106 A 8.12 3.96 1.39 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 0.00 0.00 0.00 107 Q 8.54 3.88 0.00 2.22 2.25 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 2.34 2.38 0.00 108 I 7.94 3.63 1.70 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.48 0.79 0.00 0.00 109 K 7.92 3.67 0.00 1.23 1.69 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.31 7.81 110 A 8.03 3.94 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 0.00 111 A 8.11 3.99 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 0.00 112 V 8.38 3.91 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 0.88 0.00 0.00 113 G 8.13 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.27 3.97 0.00 2.16 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 2.31 2.35 0.00 115 T 8.48 3.97 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 0.85 0.00 0.00 116 G 8.70 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 0.00 0.00 0.00 117 G 8.33 3.63 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 0.00 0.00 0.00 118 A 7.96 4.01 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 C 8.00 3.65 0.00 2.90 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 0.00 120 K 8.11 3.95 0.00 1.80 1.77 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.44 7.81 121 G 8.38 3.57 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 0.00 0.00 0.00 122 C 7.98 4.37 0.00 2.93 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 0.00 123 H 8.30 4.21 0.00 3.28 3.26 0.00 5.71 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 0.00 124 D 8.16 4.36 0.00 2.74 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 0.00 125 K 7.37 3.99 0.00 1.09 0.85 0.00 1.48 0.00 0.00 1.53 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.41 7.81 126 F 8.26 5.00 0.00 3.17 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 0.00 127 K 8.15 5.03 0.00 1.65 1.67 0.00 1.29 0.00 0.00 1.18 0.00 0.00 2.74 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.23 1.29 7.81 128 E 9.23 4.02 0.00 2.13 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.14 0.00 *129 K 8.52 4.10 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.