NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.3171 8.1876 121.7184 55.7121 30.8754 176.3313 4 I 3.8415 7.6287 111.7287 62.0482 37.7951 176.1443 5 S 4.0566 8.1834 115.6479 61.2419 62.4824 176.8157 6 S 4.0796 7.9347 114.6794 61.5755 62.0184 175.9828 7 R 4.1285 7.7333 120.3542 58.7522 29.7305 179.0069 8 I 3.7061 7.7756 119.8203 64.5297 36.9513 177.8862 9 Q 3.9102 7.5454 118.6635 59.5468 28.9585 179.0686 10 K 4.1487 7.5108 115.9390 57.0392 32.6277 177.0702 11 S 4.6953 7.6150 114.5540 57.1158 63.4556 173.2794 12 I 4.5035 8.1720 117.6594 60.0113 38.1484 175.2122 13 D 4.7310 8.1793 121.0951 52.6724 42.7018 175.7444 14 V 3.5893 8.3793 127.1590 66.5900 31.5372 177.4563 15 D 4.3684 8.1935 117.6988 57.2563 40.6536 178.2028 16 E 3.9945 8.6754 119.9929 59.3020 29.5572 179.1082 17 V 3.6428 7.8953 118.3232 65.7950 31.5689 178.1432 18 L 4.0219 8.0503 118.9001 57.8190 41.5045 179.4723 19 R 3.9559 8.4937 118.3532 59.4494 29.9399 179.1835 20 L 4.1132 8.2324 118.7211 57.8984 41.6156 179.1943 21 C 4.4688 8.5479 116.7511 63.0248 28.1576 176.1714 22 A 4.0667 8.1671 122.1881 54.9932 18.0561 179.1356 23 E 4.0808 8.9076 117.7915 59.8862 29.6258 180.1128 24 G 3.8150 8.5292 105.4307 47.9608 0.0000 175.6985 25 L 3.7228 7.7719 121.6435 57.7892 41.5658 178.6577 26 H 5.1768 8.3539 119.6904 58.4870 29.7210 176.9527 27 D 4.3163 8.8037 121.5555 56.9200 40.8873 177.9515 28 V 3.9623 7.6583 117.6001 64.6430 32.0559 176.5894 29 L 4.2897 7.8996 115.7854 54.1512 42.0904 177.4022 30 G 3.7601 8.0865 106.9614 45.5113 0.0000 173.6071 31 Y 4.2054 7.2305 118.1378 57.8957 38.7227 176.6095 32 E 4.1517 9.9217 126.5455 58.7210 31.2036 176.5833 33 R 5.1541 8.5269 118.5137 54.3009 33.9109 174.8750 34 V 4.6114 8.8526 123.4129 61.3436 34.7421 173.6362 35 N 5.6783 9.2661 126.1345 51.5414 41.6150 173.9074 36 I 4.7304 9.1465 123.9788 59.6185 40.8444 174.6718 37 L 5.8724 8.5384 126.2768 51.6653 45.8242 175.2290 *39 A 4.3476 8.4244 121.0800 52.1995 19.6127 176.5848 40 D 4.6732 8.6839 121.4451 52.7761 40.6534 177.2353 41 T 3.8405 8.3682 112.6446 64.9897 66.1187 174.8993 42 A 4.1643 8.0164 122.8158 52.4334 18.9042 177.5661 43 R 4.1053 7.9126 113.8002 57.7193 28.2620 176.7497 44 T 4.5879 7.5379 105.5157 61.6091 70.4987 173.2623 45 S 5.0147 8.6447 117.8328 57.1214 68.2923 172.5014 46 L 4.9859 8.8168 121.5750 52.9932 44.3925 175.9441 47 S 5.0501 8.4744 118.1288 56.8074 65.6956 173.0110 48 F 4.5800 8.9270 126.0783 58.1106 38.8566 174.8190 49 V 4.2411 8.9633 126.8297 64.1360 32.8659 176.0507 50 A 4.8392 7.9746 120.2577 50.1065 22.7846 175.1800 51 A 5.1688 8.5737 122.6700 50.9024 21.6622 175.4505 52 V 4.2411 9.3168 122.7749 63.0576 33.9948 177.0003 53 G 4.3803 9.0958 114.2553 46.5924 0.0000 173.1423 54 T 4.3599 7.5752 116.6467 61.4828 69.3442 174.1228 55 A 4.2897 8.3990 129.6517 53.0729 19.2247 175.8442 56 D 4.4615 8.9570 116.7733 54.6680 37.9393 174.5822 57 F 4.7821 7.9632 119.2485 57.0365 42.4450 172.1722 58 N 4.4522 7.9983 126.3936 50.7425 40.7623 172.3175 59 P 3.2564 0.0000 0.0000 63.7832 31.8621 176.0002 60 A 3.9063 7.2949 122.4259 54.2588 18.2987 177.8120 61 G 3.9057 8.9345 111.9023 44.9025 0.0000 173.3210 62 V 3.9590 7.7581 121.2633 62.5581 32.6434 175.0888 63 V 4.8757 8.2551 126.5437 61.2174 34.8264 174.1999 64 L 4.7191 8.6014 126.3575 51.7928 45.5827 174.2162 65 P 4.4773 0.0000 0.0000 62.8892 31.9804 177.1637 66 L 4.5279 8.1480 125.1909 53.3802 39.4453 175.8961 67 D 4.5481 7.4653 123.7000 52.2431 41.5511 177.3085 68 Q 4.0555 8.6911 113.5868 58.9732 29.2782 178.4232 69 R 3.8398 8.8974 118.7687 58.6143 30.3964 177.9836 70 G 2.6832 7.4742 105.6958 43.1566 0.0000 176.3109 71 G 3.7573 7.7171 111.9259 45.0604 0.0000 178.0946 72 V 3.1030 6.9453 129.1761 63.2704 31.3561 177.6844 73 I 3.5108 7.2613 121.1969 64.6793 36.7362 178.1992 74 T 3.8368 7.5127 115.9858 66.6301 68.2166 176.6369 75 K 3.9591 7.5205 119.8394 59.2944 32.0230 178.7107 76 C 4.4038 7.9493 119.2864 62.6935 31.2260 175.5362 77 F 4.0403 8.0036 120.3875 61.6958 39.1207 176.8730 78 T 4.0630 8.2480 114.2691 66.4341 68.4275 175.6727 79 D 4.6299 8.2577 117.5081 53.2859 41.7125 176.4454 80 R 3.7907 7.6815 117.5362 57.3604 28.4169 175.7475 81 Q 4.5227 7.8525 116.0084 53.5979 31.6889 174.6507 82 V 3.8957 8.3089 124.8577 63.8219 32.2257 174.7304 83 Y 4.3717 8.8793 126.4319 56.2363 41.7505 174.4841 *85 I 3.7775 8.1091 119.7369 61.5104 37.6018 176.6910 86 D 4.3379 8.8219 127.8396 55.6517 40.0888 176.7642 87 D 4.6545 7.9180 119.8279 52.6444 43.7293 175.7770 88 V 3.8545 9.3510 128.5629 64.6687 31.4358 178.1542 89 S 4.3094 8.4727 113.3698 59.7038 63.0990 174.4920 90 A 4.1952 7.9148 123.2408 52.5636 18.7309 176.3731 91 Y 4.1886 7.2086 112.9679 54.7137 40.6639 173.9856 92 P 4.3454 0.0000 0.0000 62.8663 32.3039 177.7210 93 T 3.8911 8.7342 117.5040 67.0904 68.4745 175.8787 94 D 4.6508 8.1850 118.1714 54.7119 39.6575 177.8579 95 F 4.1862 8.7283 120.3416 60.3344 39.3328 176.0393 96 R 4.3562 7.8445 119.1433 55.8896 30.5001 177.1240 97 L 4.0117 8.4982 122.7499 55.1170 42.7264 176.4606 98 Q 4.6885 8.6788 121.7643 53.4567 32.4818 174.9115 99 S 4.5261 8.9125 114.1861 58.0233 62.8702 172.6541 100 P 4.6296 0.0000 0.0000 63.9004 31.8515 177.4247 101 Y 4.0970 8.1494 117.4528 60.8805 37.5619 176.8457 102 D 4.7447 8.1240 117.5400 53.7735 39.7148 177.3425 103 A 4.5178 7.7808 121.0895 51.9113 19.3492 177.1124 104 I 4.1916 7.1020 119.3726 59.1116 38.6533 176.9222 105 R 3.8253 8.4248 125.0007 59.1711 30.1445 178.9715 106 A 4.1859 7.3485 118.7372 53.8412 18.4650 177.7757 107 L 4.4687 7.6724 113.4901 54.9856 42.1104 176.9456 108 R 4.4100 7.6320 117.7320 56.0259 29.9634 176.6499 109 S 4.3247 7.8548 112.8862 58.6412 62.9694 174.0698 110 K 4.7094 8.7181 124.5105 57.1497 33.2519 176.2283 111 S 4.8954 7.8108 115.5075 56.5335 65.5692 173.3502 112 F 4.8338 8.0088 117.7864 56.4709 41.2606 172.9776 113 V 4.8071 8.6828 119.3008 61.2200 34.1464 174.0537 114 I 5.1197 8.9386 128.2532 59.7203 40.0691 174.0950 115 C 5.1640 9.2310 127.0106 56.8492 34.5093 171.4409 116 P 4.9540 0.0000 0.0000 62.8485 32.4486 175.4958 117 I 4.4292 8.8491 123.2742 60.0582 38.8667 174.7612 118 V 4.7088 8.4333 126.9283 60.9157 34.0630 174.6822 119 V 4.2221 8.8855 127.7194 62.0537 33.6691 175.5548 120 K 3.7379 9.7762 128.2125 57.6297 29.4032 175.7113 121 G 3.9300 8.1704 102.6612 45.6915 0.0000 172.7842 122 E 4.5366 8.1878 119.3123 53.7370 32.5639 175.2667 123 A 4.3925 8.2135 126.2604 52.1459 18.7463 177.3397 124 I 4.5235 8.2773 115.7648 60.0167 39.0314 175.7125 125 G 4.1714 7.3281 107.9093 46.3214 0.0000 171.9469 126 V 5.1183 8.0424 111.3103 59.9307 36.5893 174.5088 127 F 5.1047 9.6024 122.7980 56.2588 40.9037 174.6151 128 A 5.1700 9.2372 125.7948 50.1374 21.4420 175.1738 129 V 5.0630 9.2288 122.9054 61.3449 35.2675 174.0660 130 D 5.0925 9.1034 125.0938 51.6752 43.3162 174.5855 131 N 5.5443 8.2678 114.7438 52.3614 38.9576 176.3225 132 R 4.0450 8.6183 115.0452 58.5470 30.0980 178.3358 133 S 4.4438 8.5301 112.1926 58.6847 63.7683 174.0241 134 S 4.6487 7.7493 116.2402 57.2750 63.2266 174.0018 135 R 4.1660 8.3554 123.6061 56.8619 30.4026 176.6104 136 R 4.1190 7.8625 119.7145 55.3309 29.9816 176.2123 137 S 4.2455 8.6459 121.8360 58.6797 63.4368 174.6174 138 L 4.3351 8.4337 124.1560 54.8501 42.1275 175.9612 139 N 5.1825 9.3374 119.4091 50.4570 40.4124 174.7466 140 D 4.3555 8.6718 116.8415 57.9123 40.7115 179.0440 141 T 4.1750 8.0325 109.7260 64.5114 69.0190 176.5891 142 D 4.6319 8.2209 123.2462 56.7577 40.8072 178.5505 143 V 3.5444 8.0308 119.0229 66.3138 31.5834 177.7401 144 D 4.3406 8.2657 118.4101 57.8060 40.5100 179.0418 145 T 4.0602 7.8242 115.9949 66.4816 68.3445 177.1114 146 I 3.5363 7.7303 121.8401 64.2452 37.0993 178.3660 147 K 3.7258 8.1433 119.5545 59.4841 31.8379 179.0433 148 L 3.8856 7.7492 120.0615 58.2656 41.9624 179.1268 149 F 3.9825 8.0720 117.6571 60.0286 38.7435 177.6310 150 A 3.7138 7.7412 120.8800 55.0651 18.0835 179.1743 151 D 4.2874 8.1197 117.4702 57.7594 40.9400 179.1239 152 Q 3.9200 7.9995 117.9508 58.9238 28.6421 178.8367 153 A 4.0667 8.3440 121.9265 55.3008 18.4758 179.5770 154 S 4.0314 8.4818 111.7835 61.7593 62.5041 176.1418 155 S 4.1106 8.1993 117.7256 62.0381 62.5685 176.9678 156 A 4.0355 8.1184 122.9345 54.8978 18.0571 179.7245 157 I 3.6557 8.1505 118.9432 64.4438 37.1146 178.6690 158 V 3.5490 7.8854 118.9718 66.0052 31.5298 177.7346 159 R 3.8840 8.0804 118.4180 59.8162 29.7900 178.4985 160 I 3.7641 8.0900 119.6275 64.3737 37.1341 178.2733 161 N 4.3361 8.5833 117.7860 56.3912 38.1925 177.5060 162 L 4.0363 8.0847 119.5660 57.4825 41.6839 179.1321 163 L 4.1410 7.5022 119.2518 57.8099 42.3158 178.3875 164 K 4.3450 8.1105 115.1286 55.6659 32.4076 176.9769 165 A 4.0138 7.2895 123.4565 52.1503 18.6406 177.6420 166 I 3.9412 8.3304 115.7621 61.2805 37.8251 175.9326 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 3 Q 8.19 4.32 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 4 I 7.63 3.84 1.97 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 1.72 0.42 0.99 0.00 0.00 5 S 8.18 4.06 0.00 3.83 3.86 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 0.00 0.00 0.00 6 S 7.93 4.08 0.00 3.90 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 7 R 7.73 4.13 0.00 1.91 1.98 0.00 3.25 0.00 0.00 3.38 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 8 I 7.78 3.71 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 1.46 0.82 0.92 0.00 0.00 9 Q 7.55 3.91 0.00 2.25 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 10 K 7.51 4.15 0.00 1.96 1.85 0.00 1.76 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.59 7.81 11 S 7.62 4.70 0.00 3.85 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 12 I 8.17 4.50 1.88 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 1.30 0.85 0.92 0.00 0.00 13 D 8.18 4.73 0.00 2.73 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 14 V 8.38 3.59 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 1.04 0.00 0.00 0.95 0.00 0.00 15 D 8.19 4.37 0.00 2.89 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 16 E 8.68 3.99 0.00 2.04 2.18 0.00 0.00 0.00 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 2.33 0.00 17 V 7.90 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 1.11 0.00 0.00 0.99 0.00 0.00 18 L 8.05 4.02 0.00 1.90 1.64 0.92 0.84 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 19 R 8.49 3.96 0.00 1.93 2.00 0.00 3.10 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 20 L 8.23 4.11 0.00 1.93 1.80 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 21 C 8.55 4.47 0.00 3.39 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 22 A 8.17 4.07 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 23 E 8.91 4.08 0.00 2.17 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 2.39 2.53 0.00 24 G 8.53 3.81 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 0.00 0.00 0.00 25 L 7.77 3.72 0.00 1.80 1.74 0.93 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 26 H 8.35 5.18 0.00 3.31 3.49 0.00 5.83 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 27 D 8.80 4.32 0.00 2.83 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 28 V 7.66 3.96 2.40 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 0.84 0.00 0.00 1.00 0.00 0.00 29 L 7.90 4.29 0.00 1.93 1.63 1.01 1.04 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 30 G 8.09 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 31 Y 7.23 4.21 0.00 3.17 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 32 E 9.92 4.15 0.00 2.18 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 0.00 2.38 2.34 0.00 33 R 8.53 5.15 0.00 1.95 1.83 0.00 3.31 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 2.06 0.00 34 V 8.85 4.61 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 1.12 0.00 0.00 1.04 0.00 0.00 35 N 9.27 5.68 0.00 2.72 2.66 0.00 0.00 6.37 8.54 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 36 I 9.15 4.73 1.66 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 0.30 0.63 0.00 0.00 37 L 8.54 5.87 0.00 1.44 1.37 0.49 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 *39 A 8.42 4.35 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 40 D 8.68 4.67 0.00 2.77 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 41 T 8.37 3.84 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 1.22 0.00 0.00 42 A 8.02 4.16 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 43 R 7.91 4.11 0.00 2.10 2.27 0.00 3.22 0.00 0.00 3.51 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.79 0.00 44 T 7.54 4.59 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 1.21 0.00 0.00 45 S 8.64 5.01 0.00 3.84 3.72 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 46 L 8.82 4.99 0.00 1.39 1.40 0.87 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.47 5.05 0.00 3.89 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 48 F 8.93 4.58 0.00 3.04 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 49 V 8.96 4.24 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 0.86 0.00 0.00 0.98 0.00 0.00 50 A 7.97 4.84 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.57 5.17 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 52 V 9.32 4.24 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 0.79 0.00 0.00 0.94 0.00 0.00 53 G 9.10 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 54 T 7.58 4.36 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 1.06 0.00 0.00 55 A 8.40 4.29 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 99 S 8.91 4.53 0.00 3.85 3.81 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 0.00 100 P 0.00 4.63 0.00 2.23 2.24 0.00 3.87 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 1.84 1.97 0.00 101 Y 8.15 4.10 0.00 3.03 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 0.00 102 D 8.12 4.74 0.00 2.96 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 0.00 103 A 7.78 4.52 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 0.00 104 I 7.10 4.19 1.87 0.00 0.00 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 1.29 0.86 0.66 0.00 0.00 105 R 8.42 3.83 0.00 1.66 1.88 0.00 3.08 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.56 0.00 106 A 7.35 4.19 1.15 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 0.00 107 L 7.67 4.47 0.00 1.80 1.67 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 108 R 7.63 4.41 0.00 1.96 1.95 0.00 3.14 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 109 S 7.85 4.32 0.00 4.06 3.98 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 0.00 110 K 8.72 4.71 0.00 1.87 1.88 0.00 1.72 0.00 0.00 1.93 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.55 1.57 7.81 111 S 7.81 4.90 0.00 3.84 3.80 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 0.00 112 F 8.01 4.83 0.00 3.08 3.10 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 V 8.68 4.81 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 0.91 0.00 0.00 0.94 0.00 0.00 114 I 8.94 5.12 2.00 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 1.39 0.95 1.00 0.00 0.00 115 C 9.23 5.16 0.00 2.93 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 0.00 116 P 0.00 4.95 0.00 2.09 2.04 0.00 3.81 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 117 I 8.85 4.43 2.00 0.00 0.00 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 1.50 1.06 1.02 0.00 0.00 118 V 8.43 4.71 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 0.77 0.00 0.00 0.88 0.00 0.00 119 V 8.89 4.22 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 0.99 0.00 0.00 0.95 0.00 0.00 120 K 9.78 3.74 0.00 1.85 1.79 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.47 7.81 121 G 8.17 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 0.00 122 E 8.19 4.54 0.00 1.90 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 2.31 2.19 0.00 123 A 8.21 4.39 0.44 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 0.00 124 I 8.28 4.52 1.96 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 1.38 0.83 0.94 0.00 0.00 125 G 7.33 4.17 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 0.00 126 V 8.04 5.12 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 0.97 0.00 0.00 0.91 0.00 0.00 127 F 9.60 5.10 0.00 2.96 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 0.00 128 A 9.24 5.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 9.23 5.06 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 0.95 0.00 0.00 0.98 0.00 0.00 130 D 9.10 5.09 0.00 3.08 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 0.00 131 N 8.27 5.54 0.00 2.81 2.82 0.00 0.00 6.63 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 0.00 132 R 8.62 4.05 0.00 1.98 2.30 0.00 3.08 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.61 0.00 133 S 8.53 4.44 0.00 4.00 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 0.00 134 S 7.75 4.65 0.00 3.86 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 0.00 135 R 8.36 4.17 0.00 1.85 1.97 0.00 3.27 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 136 R 7.86 4.12 0.00 1.80 1.87 0.00 3.29 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 137 S 8.65 4.25 0.00 3.91 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 0.00 138 L 8.43 4.34 0.00 1.66 1.65 0.97 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 139 N 9.34 5.18 0.00 2.87 2.95 0.00 0.00 6.93 8.10 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 0.00 140 D 8.67 4.36 0.00 2.71 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 0.00 141 T 8.03 4.17 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 1.23 0.00 0.00 142 D 8.22 4.63 0.00 2.95 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 0.00 143 V 8.03 3.54 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 1.08 0.00 0.00 0.92 0.00 0.00 144 D 8.27 4.34 0.00 2.89 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 0.00 145 T 7.82 4.06 4.48 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 0.00 0.00 0.00 1.38 0.00 0.00 146 I 7.73 3.54 1.72 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 1.12 0.34 0.74 0.00 0.00 147 K 8.14 3.73 0.00 1.95 1.82 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.52 7.81 148 L 7.75 3.89 0.00 2.00 1.99 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 149 F 8.07 3.98 0.00 2.83 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 0.00 150 A 7.74 3.71 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 0.00 151 D 8.12 4.29 0.00 2.86 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 0.00 152 Q 8.00 3.92 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.21 0.00 153 A 8.34 4.07 1.61 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 0.00 0.00 0.00 0.00 0.00 0.00 154 S 8.48 4.03 0.00 3.90 4.07 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 0.00 0.00 0.00 0.00 155 S 8.20 4.11 0.00 3.89 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 0.00 156 A 8.12 4.04 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 0.00 157 I 8.15 3.66 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.86 0.94 0.00 0.00 158 V 7.89 3.55 2.23 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 1.07 0.00 0.00 0.98 0.00 0.00 159 R 8.08 3.88 0.00 1.91 2.06 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 160 I 8.09 3.76 1.93 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 1.53 0.64 0.98 0.00 0.00 161 N 8.58 4.34 0.00 2.76 2.87 0.00 0.00 7.04 6.28 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 0.00 162 L 8.08 4.04 0.00 1.63 1.74 1.01 0.86 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 0.00 163 L 7.50 4.14 0.00 1.89 1.91 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 164 K 8.11 4.34 0.00 1.76 1.84 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.57 7.81 165 A 7.29 4.01 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 0.00 166 I 8.33 3.94 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 1.28 0.64 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.