NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.8252 8.2348 114.8008 58.1493 64.8690 174.5598 0 H 4.2919 8.1011 119.9441 58.5848 29.1999 175.9429 1 M 4.1916 7.8952 118.7001 57.8582 33.6217 177.3512 2 S 4.3761 8.0187 112.1937 59.7619 63.8184 175.3789 3 A 4.2578 7.4450 121.7437 53.6652 18.6571 177.6994 4 M 4.3251 7.2784 114.1709 54.6692 32.6334 176.2989 5 A 4.2887 8.5474 124.7080 51.5343 19.3346 177.3954 6 E 4.1525 8.4591 120.4919 55.6083 30.4240 176.8398 7 S 4.4425 8.4033 118.8942 58.2708 63.1021 173.8362 8 K 4.3732 8.6825 124.8976 56.2061 33.4147 175.7875 9 V 4.3267 7.6653 121.6666 61.8230 31.2685 175.5696 10 L 4.2963 8.6872 129.2487 57.0601 42.5513 178.1816 11 V 4.4062 7.4308 118.2854 60.9236 34.5942 174.8179 12 K 4.4681 8.8327 127.4040 56.0984 32.8351 177.2182 13 G 3.8275 8.4163 110.2904 46.7161 0.0000 172.8284 14 T 4.5707 8.4787 111.2615 59.1242 72.0343 172.9108 15 P 4.0900 0.0000 0.0000 64.8587 31.1959 177.5083 16 F 4.9150 5.8389 109.9693 55.7638 38.2345 174.9310 17 N 4.6436 7.6948 116.3882 51.9986 40.0105 173.9309 18 K 4.4623 8.4460 122.8416 55.2848 33.2611 174.5777 19 P 4.4458 0.0000 0.0000 62.7443 32.5358 175.4462 20 V 4.3576 8.4664 121.3909 61.3014 33.6565 174.2643 21 I 5.1215 8.3045 128.1671 59.2355 39.5741 175.6857 22 K 4.0877 8.9162 126.6515 57.7399 32.7199 177.9532 23 G 3.9856 9.2448 110.5450 44.8390 0.0000 172.2642 24 K 4.5568 7.8767 115.8726 53.8575 35.6849 177.3149 25 L 2.8414 8.1857 124.0754 57.7988 42.0366 179.0745 26 E 3.8858 7.9963 115.1209 58.4318 29.6345 176.7433 27 N 4.8411 7.5770 117.5770 53.1106 39.7053 173.5041 28 N 4.1246 8.5994 110.9032 54.2322 36.8494 174.1172 29 Y 3.8103 8.2998 110.8361 59.3836 36.1576 171.3228 30 D 4.5170 8.2086 115.2957 55.1785 39.2559 174.5106 31 M 4.4840 7.8667 119.0583 54.9644 32.8794 176.9842 32 S 4.5811 8.6929 117.1690 57.6465 65.8165 175.2764 33 Q 4.0357 8.5623 122.5543 59.2173 28.7365 177.8027 34 D 4.4378 8.1373 119.9125 56.5953 39.2982 178.4020 35 E 4.0596 8.1798 119.5311 58.9917 29.5345 179.3073 36 V 3.6529 7.8723 118.2249 66.1224 31.6475 178.0678 37 S 4.1668 8.5228 115.3474 61.7474 62.6809 176.6462 38 L 4.0126 8.1011 122.7756 57.9826 41.8666 178.6046 39 L 4.0318 8.2976 120.5700 58.4001 42.0022 179.0902 40 L 4.0749 8.2839 118.9077 57.4305 41.6158 179.2571 41 F 4.1376 8.4077 120.9275 61.3151 39.2899 177.1847 42 L 4.0105 8.3529 118.7442 57.6745 41.1896 179.4612 43 K 3.8993 7.9434 118.5853 59.8537 32.2290 178.8089 44 T 3.8846 8.1037 115.3756 65.7140 68.9339 175.1209 45 H 4.7119 7.8549 118.7606 55.1139 28.7336 176.4481 46 G 3.8435 8.3001 106.2355 45.5705 0.0000 174.5877 47 G 3.8788 9.1269 107.2040 45.3359 0.0000 173.2695 48 K 4.8992 7.5632 118.3421 55.3519 35.4809 174.7837 49 I 4.4096 8.7140 126.2196 59.1994 42.2468 171.7948 50 P 4.6468 0.0000 0.0000 62.2881 32.1845 177.3278 51 L 3.9377 8.7104 125.2200 58.4699 41.9846 179.2273 52 Y 4.2448 7.8990 117.1138 60.0534 37.7681 178.5226 53 R 3.9126 7.1034 119.8202 58.9789 30.0733 178.9111 54 I 3.5548 7.6079 119.3262 64.2038 36.9092 178.4615 55 K 3.9728 7.7073 118.0407 59.4654 31.9565 178.8359 56 N 4.5601 8.0780 115.7557 55.3139 38.7756 176.4561 57 E 4.5107 8.3014 117.5900 56.6211 30.5755 177.3863 58 T 3.8746 7.1498 108.8032 61.6688 69.2854 175.8845 59 G 3.8507 7.9540 108.6486 45.5173 0.0000 172.8090 60 L 4.5072 7.1636 119.0324 53.0435 42.8600 177.3983 61 K 4.1396 8.5833 122.0837 59.0625 32.7869 177.1652 62 D 4.7540 7.5552 117.0753 50.5549 41.2920 173.1834 63 P 4.2287 0.0000 0.0000 65.4911 31.7268 177.7676 64 E 3.9902 8.0994 116.7340 59.3804 29.5004 179.2532 65 S 4.0257 8.0888 113.1780 61.2161 62.5551 176.3695 66 V 3.5519 7.5906 120.5663 65.8729 31.2135 177.7199 67 L 3.9399 8.2756 120.4904 58.1878 41.8424 179.0428 68 K 3.8565 8.2174 118.5014 59.4655 31.8227 179.0751 69 N 3.8739 7.8618 116.2703 56.1514 38.3948 177.4473 70 L 3.9148 7.5865 120.0497 57.9078 41.6568 179.6293 71 M 4.5268 7.9763 120.2673 58.0553 31.6383 178.5034 72 D 4.3102 8.1001 119.2660 57.5166 40.8690 178.3352 73 Y 4.3949 7.7586 117.0628 59.2288 37.4277 177.4951 74 G 3.9918 7.7145 107.6537 45.3098 0.0000 173.9371 75 F 5.1774 8.3121 118.3618 57.9718 40.6291 175.2800 76 A 5.2864 7.8697 119.3780 50.9264 22.9874 174.5122 77 L 4.8804 9.0708 118.8708 54.9048 44.6632 174.1204 78 E 4.8074 8.6245 118.7917 54.7412 30.6643 176.6114 79 D 4.9347 8.9401 124.4729 52.2619 40.4791 174.6995 80 K 4.1926 7.9367 121.3605 56.1616 32.9995 175.5025 81 E 4.6957 8.8262 122.5287 54.3951 32.7431 174.2522 82 R 3.9127 8.2381 115.1787 57.5159 29.1049 175.9078 83 L 3.6282 8.3404 123.6982 55.7404 38.5499 173.7164 84 G 4.2714 7.0506 102.6467 43.4851 0.0000 173.4746 85 E 4.7434 8.6835 119.1624 54.7437 32.1550 174.5691 86 K 4.9832 8.3728 123.0085 54.8032 35.1162 174.5023 87 I 4.8858 8.9754 128.0552 59.8694 39.3948 175.1325 88 V 4.9561 8.6292 119.2679 59.3899 35.7790 175.1220 89 L 4.7909 8.7611 124.6319 54.8578 42.5342 177.1969 90 T 4.3201 8.5592 113.2779 60.9593 70.5949 175.8637 91 S 4.1203 8.7399 117.1693 61.8394 62.6623 176.8814 92 E 4.1323 8.2510 121.0648 59.2104 29.2252 179.3925 93 G 3.4155 8.2924 105.9527 47.6167 0.0000 175.6991 94 E 3.9158 8.4522 121.1726 59.0189 29.4822 179.0426 95 F 3.9618 8.2451 120.6727 61.4162 39.4742 177.4293 96 V 3.2143 7.7424 117.4757 65.6583 31.1259 177.7984 97 A 3.9098 7.9826 120.8438 55.2050 18.1666 179.4452 98 Q 3.7729 8.3139 118.2479 59.0835 29.1027 178.1612 99 A 3.8222 7.7516 121.8616 55.1768 18.2850 179.7573 100 I 3.6834 7.8037 118.2549 64.4536 37.1130 178.8484 101 R 3.8752 8.1077 119.0857 59.2657 29.8329 179.3235 102 V 3.5159 8.0769 118.3654 65.8708 31.6270 177.9426 103 R 4.0038 8.0238 118.4327 59.6575 29.9265 178.1881 104 D 4.3435 8.3426 118.9117 57.4149 40.7267 178.4869 105 E 3.9577 8.4405 119.9761 59.2141 29.6402 178.6272 106 E 3.9380 8.5292 119.1600 59.3120 29.5081 179.1329 107 L 3.9695 7.8804 120.2159 57.9903 42.1609 178.9830 108 R 3.8895 7.9677 118.8553 59.2270 29.9803 178.3159 109 L 3.9408 8.2638 120.5866 57.8892 41.8828 178.7292 110 K 3.8847 7.8828 118.5082 59.7741 31.9115 178.3604 111 E 4.1045 8.2827 118.7307 59.3934 29.2618 179.0424 112 M 4.0635 8.1050 118.4815 58.5782 32.1360 178.4678 113 K 4.0923 8.0586 117.3553 59.0872 32.2349 178.8586 114 Q 4.1765 7.4703 116.4023 57.9329 28.7278 177.5587 115 K 4.1368 7.6559 119.1509 58.7989 32.3380 177.7129 116 K 4.3516 7.5097 118.2826 54.7673 34.9211 174.4036 117 N 4.4910 8.8041 125.1959 54.0088 38.4885 174.2337 118 V 4.4786 8.0675 118.8732 60.7706 33.0740 175.6861 119 N 4.2929 8.5104 118.1605 54.0307 38.7673 175.5170 120 R 4.1774 8.5360 120.8542 56.4174 30.3381 176.2843 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 S 8.23 4.83 0.00 3.98 4.02 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 H 8.10 4.29 0.00 3.31 3.34 0.00 5.63 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 1 M 7.90 4.19 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.53 0.00 2 S 8.02 4.38 0.00 4.04 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 3 A 7.45 4.26 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 4 M 7.28 4.33 0.00 2.33 1.99 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.60 0.00 5 A 8.55 4.29 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 6 E 8.46 4.15 0.00 1.97 1.89 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 2.30 2.30 0.00 7 S 8.40 4.44 0.00 3.86 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 8 K 8.68 4.37 0.00 1.33 1.77 0.00 1.19 0.00 0.00 1.55 0.00 0.00 2.13 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.11 0.79 7.81 9 V 7.67 4.33 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 0.77 0.00 0.00 1.09 0.00 0.00 10 L 8.69 4.30 0.00 1.80 1.71 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.43 4.41 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 1.01 0.00 0.00 0.93 0.00 0.00 12 K 8.83 4.47 0.00 1.66 1.82 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.44 7.81 13 G 8.42 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 14 T 8.48 4.57 3.66 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 1.13 0.00 0.00 15 P 0.00 4.09 0.00 1.75 2.06 0.00 2.98 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.93 0.00 16 F 5.84 4.91 0.00 3.11 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 17 N 7.69 4.64 0.00 2.89 3.03 0.00 0.00 6.64 7.34 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 18 K 8.45 4.46 0.00 1.75 1.67 0.00 1.99 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.07 7.81 19 P 0.00 4.45 0.00 1.74 1.79 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.97 0.00 20 V 8.47 4.36 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 0.99 0.00 0.00 0.91 0.00 0.00 21 I 8.30 5.12 1.96 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 1.34 0.94 0.91 0.00 0.00 22 K 8.92 4.09 0.00 1.64 1.76 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.41 7.81 23 G 9.24 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 0.00 0.00 0.00 24 K 7.88 4.56 0.00 1.67 1.77 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.37 7.81 25 L 8.19 2.84 0.00 1.48 1.49 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.00 3.89 0.00 2.05 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 2.17 2.19 0.00 27 N 7.58 4.84 0.00 2.72 2.68 0.00 0.00 7.33 6.71 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 28 N 8.60 4.12 0.00 2.93 2.91 0.00 0.00 7.13 6.99 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 29 Y 8.30 3.81 0.00 3.15 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 30 D 8.21 4.52 0.00 2.82 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 31 M 7.87 4.48 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.58 0.00 32 S 8.69 4.58 0.00 4.15 4.05 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 33 Q 8.56 4.04 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 34 D 8.14 4.44 0.00 2.92 2.93 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 35 E 8.18 4.06 0.00 2.37 2.27 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 2.49 2.45 0.00 36 V 7.87 3.65 2.27 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 1.15 0.00 0.00 1.06 0.00 0.00 37 S 8.52 4.17 0.00 4.05 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 38 L 8.10 4.01 0.00 1.77 1.84 0.90 0.37 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 39 L 8.30 4.03 0.00 2.01 1.89 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.28 4.07 0.00 1.79 1.73 0.94 0.82 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 41 F 8.41 4.14 0.00 3.26 3.28 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 42 L 8.35 4.01 0.00 1.96 1.75 1.01 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 43 K 7.94 3.90 0.00 1.81 1.95 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.47 7.81 44 T 8.10 3.88 4.16 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 0.00 0.00 0.92 0.00 0.00 45 H 7.85 4.71 0.00 2.87 3.08 0.00 5.71 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.30 3.84 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 0.00 0.00 0.00 47 G 9.13 3.88 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 0.00 0.00 0.00 48 K 7.56 4.90 0.00 1.78 1.64 0.00 1.84 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.37 7.81 49 I 8.71 4.41 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.82 0.95 0.00 0.00 50 P 0.00 4.65 0.00 1.30 1.83 0.00 3.45 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 1.97 2.03 0.00 51 L 8.71 3.94 0.00 1.78 1.70 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 7.90 4.24 0.00 3.28 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 53 R 7.10 3.91 0.00 1.86 2.07 0.00 3.01 0.00 0.00 2.98 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.73 0.00 54 I 7.61 3.55 2.01 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 1.74 0.93 0.83 0.00 0.00 55 K 7.71 3.97 0.00 1.96 1.88 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.65 7.81 56 N 8.08 4.56 0.00 2.79 2.92 0.00 0.00 6.97 7.71 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 57 E 8.30 4.51 0.00 2.04 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 2.33 2.40 0.00 58 T 7.15 3.87 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 0.24 0.00 0.00 59 G 7.95 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 60 L 7.16 4.51 0.00 1.52 1.55 0.84 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.58 4.14 0.00 1.73 1.86 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.36 7.81 62 D 7.56 4.75 0.00 2.59 2.46 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 63 P 0.00 4.23 0.00 2.15 2.01 0.00 3.63 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 2.06 2.23 0.00 64 E 8.10 3.99 0.00 1.99 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 2.39 2.35 0.00 65 S 8.09 4.03 0.00 3.95 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 66 V 7.59 3.55 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 0.99 0.00 0.00 1.02 0.00 0.00 67 L 8.28 3.94 0.00 1.81 1.82 0.94 0.73 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 68 K 8.22 3.86 0.00 1.90 1.77 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.62 7.81 69 N 7.86 3.87 0.00 2.73 2.24 0.00 0.00 6.99 6.16 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 70 L 7.59 3.91 0.00 1.89 1.86 1.03 1.24 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 71 M 7.98 4.53 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.49 0.00 72 D 8.10 4.31 0.00 2.52 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 73 Y 7.76 4.39 0.00 2.32 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 0.00 0.00 0.00 0.00 74 G 7.71 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 0.00 0.00 0.00 75 F 8.31 5.18 0.00 3.16 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 76 A 7.87 5.29 1.26 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 0.00 0.00 77 L 9.07 4.88 0.00 1.71 1.75 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.62 4.81 0.00 1.87 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 2.24 2.28 0.00 79 D 8.94 4.93 0.00 2.65 2.64 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 0.00 80 K 7.94 4.19 0.00 1.76 1.71 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.44 7.81 81 E 8.83 4.70 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 2.40 2.35 0.00 82 R 8.24 3.91 0.00 1.93 2.03 0.00 3.15 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 83 L 8.34 3.63 0.00 1.87 1.91 0.93 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 84 G 7.05 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 0.00 0.00 0.00 0.00 85 E 8.68 4.74 0.00 2.06 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 0.00 2.33 2.31 0.00 86 K 8.37 4.98 0.00 1.96 1.67 0.00 1.48 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.41 7.81 87 I 8.98 4.89 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 1.23 0.88 0.94 0.00 0.00 88 V 8.63 4.96 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 0.76 0.00 0.00 0.94 0.00 0.00 89 L 8.76 4.79 0.00 1.53 1.61 0.94 1.10 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 90 T 8.56 4.32 4.29 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 0.00 0.00 0.00 1.32 0.00 0.00 91 S 8.74 4.12 0.00 3.88 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 92 E 8.25 4.13 0.00 2.21 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 2.43 2.39 0.00 93 G 8.29 3.42 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 0.00 0.00 0.00 94 E 8.45 3.92 0.00 2.19 2.00 0.00 0.00 0.00 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 2.52 0.00 95 F 8.25 3.96 0.00 3.17 3.16 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 0.00 0.00 0.00 96 V 7.74 3.21 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 0.35 0.00 0.00 0.14 0.00 0.00 97 A 7.98 3.91 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 98 Q 8.31 3.77 0.00 2.17 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 99 A 7.75 3.82 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 0.00 100 I 7.80 3.68 2.00 0.00 0.00 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 1.58 0.95 0.95 0.00 0.00 101 R 8.11 3.88 0.00 1.96 1.94 0.00 3.09 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 102 V 8.08 3.52 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 1.04 0.00 0.00 0.94 0.00 0.00 103 R 8.02 4.00 0.00 1.95 2.04 0.00 3.10 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 104 D 8.34 4.34 0.00 2.85 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 0.00 105 E 8.44 3.96 0.00 2.12 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 2.37 0.00 106 E 8.53 3.94 0.00 2.16 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 2.31 2.54 0.00 107 L 7.88 3.97 0.00 1.78 1.83 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 108 R 7.97 3.89 0.00 1.93 2.08 0.00 3.14 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 109 L 8.26 3.94 0.00 1.77 1.79 0.91 0.63 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 0.00 110 K 7.88 3.88 0.00 1.88 2.00 0.00 1.85 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.58 1.48 7.81 111 E 8.28 4.10 0.00 2.20 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 2.32 2.44 0.00 112 M 8.11 4.06 0.00 2.22 2.13 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 2.59 2.57 0.00 113 K 8.06 4.09 0.00 1.93 1.86 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.60 7.81 114 Q 7.47 4.18 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 115 K 7.66 4.14 0.00 1.73 1.87 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.63 7.81 116 K 7.51 4.35 0.00 1.64 1.63 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.48 7.81 117 N 8.80 4.49 0.00 2.72 2.74 0.00 0.00 6.95 7.71 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 0.00 118 V 8.07 4.48 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 0.81 0.00 0.00 0.93 0.00 0.00 119 N 8.51 4.29 0.00 2.81 2.78 0.00 0.00 6.84 7.85 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 0.00 120 R 8.54 4.18 0.00 1.79 1.83 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00