NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9871 8.0544 114.0584 61.4464 32.9016 174.6359 2 H 4.5550 8.6662 122.9114 53.9888 30.8534 171.0173 3 L 4.6523 7.9108 127.4962 52.8501 44.1714 177.3335 4 S 4.3551 8.6478 118.4191 57.7875 64.9539 175.6808 5 G 3.7490 8.6131 109.2512 48.4577 0.0000 175.4905 6 D 4.3882 8.0676 120.9852 56.9864 40.7534 178.7633 7 E 3.8998 7.9489 118.5339 59.3068 29.5179 179.3055 8 K 3.7810 8.2062 118.8185 59.6623 32.0727 179.1107 9 N 4.3496 8.1843 116.2463 56.2603 38.4853 177.2730 10 A 3.9817 8.0283 122.1477 55.1465 18.4344 179.9524 11 V 3.4845 7.9286 116.7686 66.5696 31.6323 178.0538 12 H 4.4182 8.2566 116.1236 58.7710 28.2700 178.0531 13 G 3.6780 8.1905 106.9489 47.8033 0.0000 175.2444 14 L 3.9494 8.1007 122.8787 57.4774 41.7308 178.8242 15 W 4.1932 8.5427 128.5428 60.2289 30.4425 177.9531 16 S 4.2318 8.2818 112.4576 60.7898 61.8088 175.0188 17 K 4.3188 7.6057 119.6074 57.8465 32.5976 177.9155 18 V 3.5988 7.0177 111.8285 61.4748 31.8500 176.4283 19 K 4.1686 8.2495 123.7015 55.3561 31.1353 177.8237 20 V 3.4621 8.2375 118.5781 64.4539 31.5717 177.7017 21 D 4.5860 7.9738 116.4932 55.4795 41.4165 176.7670 22 E 4.4541 8.2425 118.4057 57.7709 31.1908 178.3594 23 V 3.4883 7.4847 117.6908 65.7646 31.6004 178.0645 24 G 3.7233 8.0063 105.1668 47.7976 0.0000 175.6495 25 G 3.6114 8.0036 107.9600 47.5072 0.0000 175.2208 26 E 3.9164 8.4974 121.9574 58.7779 29.6938 178.8378 27 A 3.9320 8.3226 121.3209 54.8967 18.4846 179.3360 28 L 3.9650 8.2342 119.2608 58.1549 42.2076 179.2400 29 G 3.5946 8.0859 105.5723 48.0571 0.0000 175.6120 30 R 3.8739 8.1558 121.4623 58.6446 30.1019 178.7280 31 L 4.1035 7.7411 119.4487 58.4918 41.8377 179.1923 32 L 4.1158 7.4828 118.6531 57.1960 41.5602 179.5261 33 V 3.7644 7.5646 111.5840 63.9763 31.7030 178.4232 34 V 3.6543 7.9607 117.5345 64.0103 32.5867 175.5107 35 Y 4.1391 7.7072 117.3205 54.3917 37.7120 174.1628 36 P 4.4644 0.0000 0.0000 64.4361 31.6762 177.6491 37 W 4.3295 8.0008 115.7980 59.3582 27.8803 178.2431 38 T 4.2850 7.3201 110.7886 64.7173 68.0424 176.5016 39 R 4.1978 7.9003 121.1423 58.8611 29.7351 178.3893 40 R 3.9109 7.7138 118.2291 59.5332 29.9515 177.4926 41 F 4.4128 7.9127 114.2055 57.6073 39.7413 175.5674 42 F 4.6939 8.0423 118.4981 56.9666 39.9091 176.9870 43 E 4.1501 8.3229 121.7739 59.0015 29.7042 179.2050 44 S 4.4313 8.1760 111.5056 59.7015 63.5185 174.7157 45 F 4.4053 8.6684 119.4640 57.7140 39.7695 177.5846 46 G 3.8389 7.5495 108.9229 46.0257 0.0000 174.8841 47 D 4.4679 8.7834 125.0059 54.5739 41.3946 175.9004 48 L 4.8811 8.3310 124.8792 54.6070 43.6613 177.6363 49 S 4.2939 8.5325 116.8021 60.4165 63.4669 174.3860 50 T 4.7125 7.4932 109.9233 58.7548 73.0449 174.4529 51 A 3.9479 8.3504 122.4928 55.3084 18.0265 179.3401 52 D 4.2156 8.0777 115.8596 57.2775 41.1142 178.1641 53 A 3.9960 7.5506 119.9232 55.2529 18.5411 179.4486 54 V 3.6917 7.5233 115.2287 66.3381 31.7638 177.5211 55 M 4.3750 8.0516 115.3857 56.0263 32.1375 176.3072 56 N 4.9367 7.7366 116.5665 52.6053 40.0283 174.2103 57 N 4.8281 7.9750 117.1067 51.4300 40.6809 172.3043 58 P 4.2642 0.0000 0.0000 65.4459 31.5190 178.5951 59 K 3.7714 8.0125 118.2227 59.1291 32.0092 178.9187 60 V 3.8672 8.1352 118.7829 65.8448 31.4457 178.2349 61 K 3.9400 8.0456 117.7393 59.4605 31.8430 179.0686 62 A 4.0132 8.2877 121.4108 55.6626 18.2854 179.2199 63 H 4.4407 8.6201 116.7809 59.1153 29.9409 177.7168 64 G 3.6240 8.5851 108.2118 47.6759 0.0000 175.3596 65 S 4.1286 8.1734 115.7209 61.4178 62.5154 176.6781 66 K 4.0581 7.9005 120.9172 59.2889 31.7015 179.6525 67 V 3.6974 7.8208 118.9031 65.8463 31.5920 177.9010 68 L 4.3739 8.5900 120.6682 58.3758 41.9699 178.6654 69 N 4.5975 8.6327 116.6760 56.4005 38.3106 177.3512 70 S 4.4383 8.1710 115.7139 60.9580 62.4975 176.1678 71 F 4.2515 8.6411 120.7497 60.4912 38.6230 177.9243 72 G 3.4905 8.3539 105.2205 47.7493 0.0000 175.2944 73 D 4.5241 8.3853 121.5557 57.3506 40.8909 179.4227 74 G 3.7843 7.7205 107.2987 47.1861 0.0000 175.6746 75 L 3.8764 7.4710 120.4704 57.2547 41.6244 178.4073 76 N 4.7554 7.5525 112.9203 53.1353 39.2322 175.2482 77 H 5.1220 7.9055 118.2105 53.9971 30.0326 175.5904 78 L 3.9782 8.1181 120.8960 57.6116 41.7545 178.9189 79 D 4.4822 8.2198 118.2803 55.7734 39.8716 175.3324 80 N 5.2169 8.2135 117.5962 50.8643 38.9171 174.2907 81 L 3.9652 7.8617 122.6646 57.1248 42.4032 178.4521 82 K 3.9140 8.1443 119.3676 59.7773 31.8636 178.9126 83 G 3.6288 8.0342 103.7278 47.8953 0.0000 175.2907 84 T 3.7705 7.3543 117.0938 66.0212 68.4013 175.3881 85 Y 4.6002 7.7819 116.1371 57.5903 38.1469 177.3417 86 A 4.0277 7.4438 122.7531 55.3433 18.4786 180.4320 87 K 3.8945 7.9183 116.2318 59.6758 32.1779 179.4984 88 L 4.0075 7.9134 118.7296 57.5860 41.4920 179.2329 89 S 4.1576 8.4884 114.8476 60.8105 62.2614 175.7606 90 E 4.0639 7.9174 122.4085 58.6858 29.3050 179.0524 91 L 3.8843 7.9900 119.9067 58.9030 42.0791 178.9216 92 H 4.2617 8.6847 116.1303 58.2666 28.4188 177.0459 93 C 4.8173 8.2745 119.8298 61.3963 28.5457 175.9564 94 D 4.3964 8.2400 120.3306 56.4257 40.9661 178.4128 95 K 4.1855 7.9553 118.2896 57.8692 33.0804 177.0010 96 L 4.3417 7.7901 116.1491 54.6882 42.6882 176.2157 97 H 4.3913 7.9570 113.6651 55.6054 25.9956 175.3161 98 V 3.6451 8.0228 118.3530 61.8596 32.4984 175.0063 99 D 4.1565 8.6796 127.3838 53.3465 41.8268 175.0455 100 P 3.2324 0.0000 0.0000 65.3360 31.7459 177.8477 101 E 3.8713 8.2805 119.7766 59.4319 29.3617 178.5422 102 N 4.4322 7.9390 116.0042 55.9169 38.6078 177.4123 103 F 4.5577 7.6002 119.7249 60.5625 38.9553 177.8416 104 R 4.0390 8.0255 117.3154 59.3029 29.9985 178.9704 105 L 3.9567 7.8230 118.4329 57.6888 41.5531 179.3651 106 L 4.2045 8.2466 120.4958 57.8082 42.0405 179.2778 107 G 3.7095 8.2059 105.6871 48.0527 0.0000 175.5517 108 N 4.5419 8.3526 119.1377 55.6112 38.5255 177.8463 109 V 3.6683 8.0258 120.1469 65.7567 31.5910 177.8124 110 L 3.8577 7.9304 120.2604 57.9828 41.8663 179.0721 111 V 3.5062 7.5428 117.7246 66.2214 31.5033 178.5328 112 V 3.6517 7.9197 112.0158 64.1435 31.3135 178.8064 113 V 3.5307 7.7620 118.3288 65.7696 31.3300 178.0383 114 L 3.8175 8.0390 119.0196 57.5444 41.3057 179.3139 115 A 3.7991 7.1543 120.6001 55.0674 18.0924 179.6348 116 R 3.7571 7.6973 116.0333 59.9570 30.2089 178.1874 117 H 4.0131 7.9768 114.9374 57.6534 29.0845 176.7343 118 F 4.7655 8.2286 117.4682 55.0089 40.1320 177.3515 119 G 3.7991 8.7440 108.3417 46.1313 0.0000 176.8148 120 K 3.9676 9.0815 124.5909 58.9564 32.0575 177.0701 121 E 4.0821 8.1347 119.0012 58.9242 29.9646 177.2256 122 F 4.5178 7.8158 122.7062 56.9048 37.8449 174.9983 123 T 4.1386 7.3784 115.8652 60.3360 71.3114 173.2744 124 P 4.1591 0.0000 0.0000 66.1031 31.0963 178.6660 125 D 4.2788 7.8986 116.8404 57.2842 40.8577 178.4651 126 L 3.8887 7.7986 120.8668 57.8257 42.0313 178.4731 127 Q 3.5125 7.5372 119.4040 59.1925 29.0364 178.3166 128 A 3.9830 7.8022 121.0995 55.3349 18.4017 179.5203 129 A 3.9130 7.7970 119.0825 55.5268 18.4777 179.5476 130 Y 3.9569 8.2573 115.1765 61.0062 37.8829 178.5975 131 Q 4.1354 8.8478 119.7353 58.7870 28.8959 178.7938 132 K 3.9373 7.9551 119.0999 59.4118 32.0222 179.5319 133 V 3.5532 7.5667 117.7853 66.2880 31.4782 178.6086 134 V 3.8686 8.0720 111.8907 64.3290 31.4718 178.4805 135 A 4.1506 8.2526 120.9345 54.9828 18.1658 179.9857 136 G 3.5533 7.9822 103.9783 47.7337 0.0000 176.2164 137 V 3.2692 8.1599 120.8631 65.5170 31.5557 177.8760 138 A 3.9228 8.0927 120.5472 55.3903 18.0638 179.2150 139 N 4.3619 7.9137 113.5290 56.6927 38.7653 176.6599 140 A 4.1496 8.0549 122.4190 55.0384 18.5542 179.5175 141 L 3.8278 7.8311 117.0457 56.8709 41.5064 178.3414 142 A 4.8761 7.7960 119.3102 52.7193 18.5452 178.3308 143 H 4.2350 7.6240 118.7989 58.9073 29.9338 176.7260 144 R 3.8886 7.5198 118.7635 58.5343 30.1893 177.0759 145 Y 4.5440 7.2484 115.4520 57.8805 39.0154 175.2921 146 H 4.1377 9.1262 121.3634 56.8825 31.1830 174.6005 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 V 8.05 3.99 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 0.90 0.00 0.00 0.96 0.00 0.00 2 H 8.67 4.56 0.00 3.12 3.19 0.00 5.71 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.91 4.65 0.00 1.56 1.45 0.75 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 4 S 8.65 4.36 0.00 4.03 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 5 G 8.61 3.75 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 0.00 0.00 0.00 6 D 8.07 4.39 0.00 2.67 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 7 E 7.95 3.90 0.00 2.23 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 2.26 2.29 0.00 8 K 8.21 3.78 0.00 1.93 1.89 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.40 1.59 7.81 9 N 8.18 4.35 0.00 2.90 2.87 0.00 0.00 6.94 7.26 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 10 A 8.03 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 11 V 7.93 3.48 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 0.42 0.00 0.00 0.45 0.00 0.00 12 H 8.26 4.42 0.00 3.31 3.37 0.00 5.87 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 13 G 8.19 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 14 L 8.10 3.95 0.00 1.98 2.03 0.49 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.54 4.19 0.00 3.78 3.27 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 16 S 8.28 4.23 0.00 4.15 3.96 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 17 K 7.61 4.32 0.00 2.07 2.14 0.00 1.88 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.51 1.64 7.81 18 V 7.02 3.60 1.75 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 0.40 0.00 0.00 0.07 0.00 0.00 19 K 8.25 4.17 0.00 1.69 1.69 0.00 1.60 0.00 0.00 1.92 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.38 7.81 20 V 8.24 3.46 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 0.63 0.00 0.00 0.90 0.00 0.00 21 D 7.97 4.59 0.00 2.62 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 22 E 8.24 4.45 0.00 2.02 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 2.17 2.22 0.00 23 V 7.48 3.49 1.82 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 0.89 0.00 0.00 0.55 0.00 0.00 24 G 8.01 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 0.00 0.00 0.00 25 G 8.00 3.61 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 0.00 26 E 8.50 3.92 0.00 2.10 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 0.00 2.27 2.29 0.00 27 A 8.32 3.93 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 28 L 8.23 3.96 0.00 1.85 1.65 0.74 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.09 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.16 3.87 0.00 1.90 1.96 0.00 3.10 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 31 L 7.74 4.10 0.00 1.85 1.91 0.94 0.73 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 32 L 7.48 4.12 0.00 1.77 1.64 0.59 0.76 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 33 V 7.56 3.76 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 0.70 0.00 0.00 0.84 0.00 0.00 34 V 7.96 3.65 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 -0.12 0.00 0.00 0.75 0.00 0.00 35 Y 7.71 4.14 0.00 2.26 1.43 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 36 P 0.00 4.46 0.00 2.25 2.12 0.00 3.71 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 2.17 2.11 0.00 37 W 8.00 4.33 0.00 3.59 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.32 4.28 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 0.95 0.00 0.00 39 R 7.90 4.20 0.00 1.99 2.08 0.00 3.25 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 40 R 7.71 3.91 0.00 1.74 1.60 0.00 3.10 0.00 0.00 2.88 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.47 0.00 41 F 7.91 4.41 0.00 2.40 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 42 F 8.04 4.69 0.00 2.75 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 0.00 0.00 0.00 43 E 8.32 4.15 0.00 2.05 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 0.00 2.42 2.41 0.00 44 S 8.18 4.43 0.00 4.08 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 45 F 8.67 4.41 0.00 3.23 3.21 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 46 G 7.55 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 D 8.78 4.47 0.00 2.65 2.63 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 48 L 8.33 4.88 0.00 1.64 1.58 0.98 0.97 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 49 S 8.53 4.29 0.00 4.00 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 7.49 4.71 4.23 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 1.21 0.00 0.00 51 A 8.35 3.95 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 52 D 8.08 4.22 0.00 2.78 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 53 A 7.55 4.00 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 54 V 7.52 3.69 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 0.85 0.00 0.00 0.94 0.00 0.00 55 M 8.05 4.38 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.86 0.00 56 N 7.74 4.94 0.00 2.78 2.76 0.00 0.00 6.73 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 57 N 7.98 4.83 0.00 2.99 2.86 0.00 0.00 7.08 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 58 P 0.00 4.26 0.00 2.15 2.05 0.00 3.62 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 2.09 2.12 0.00 59 K 8.01 3.77 0.00 1.51 1.12 0.00 1.35 0.00 0.00 0.63 0.00 0.00 2.47 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.40 1.07 7.81 60 V 8.14 3.87 2.28 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 1.05 0.00 0.00 1.14 0.00 0.00 61 K 8.05 3.94 0.00 2.01 1.83 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.73 7.81 62 A 8.29 4.01 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 63 H 8.62 4.44 0.00 3.62 3.70 0.00 5.79 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 64 G 8.59 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 65 S 8.17 4.13 0.00 3.93 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 66 K 7.90 4.06 0.00 1.84 1.91 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.74 7.81 67 V 7.82 3.70 2.32 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 1.25 0.00 0.00 0.97 0.00 0.00 68 L 8.59 4.37 0.00 1.96 1.88 0.87 0.42 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 69 N 8.63 4.60 0.00 2.88 2.96 0.00 0.00 6.66 7.10 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 70 S 8.17 4.44 0.00 4.08 4.09 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 71 F 8.64 4.25 0.00 3.66 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 72 G 8.35 3.49 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 0.00 73 D 8.39 4.52 0.00 2.87 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 74 G 7.72 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 75 L 7.47 3.88 0.00 1.56 1.50 -0.18 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 7.55 4.76 0.00 2.57 2.63 0.00 0.00 6.83 8.87 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 77 H 7.91 5.12 0.00 3.04 3.12 0.00 5.63 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.12 3.98 0.00 1.59 1.70 0.81 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.22 4.48 0.00 2.81 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 80 N 8.21 5.22 0.00 2.71 2.63 0.00 0.00 7.22 7.52 0.00 0.00 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 L 7.86 3.97 0.00 1.79 1.90 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.14 3.91 0.00 1.76 1.74 0.00 1.41 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 1.34 7.81 83 G 8.03 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 84 T 7.35 3.77 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 0.35 0.00 0.00 85 Y 7.78 4.60 0.00 3.06 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 86 A 7.44 4.03 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 87 K 7.92 3.89 0.00 1.75 1.86 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.45 7.81 88 L 7.91 4.01 0.00 1.88 1.72 1.02 0.86 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 89 S 8.49 4.16 0.00 3.97 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 90 E 7.92 4.06 0.00 2.26 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 2.44 2.29 0.00 91 L 7.99 3.88 0.00 1.73 1.84 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.68 4.26 0.00 3.30 3.60 0.00 5.85 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 93 C 8.27 4.82 0.00 2.60 1.80 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 94 D 8.24 4.40 0.00 2.79 2.68 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 95 K 7.96 4.19 0.00 1.67 1.95 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.43 7.81 96 L 7.79 4.34 0.00 1.81 1.72 0.73 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.96 4.39 0.00 3.44 3.47 0.00 5.75 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.02 3.65 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 0.29 0.00 0.00 0.23 0.00 0.00 99 D 8.68 4.16 0.00 2.65 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 0.00 100 P 0.00 3.23 0.00 2.23 2.46 0.00 3.31 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.66 0.00 101 E 8.28 3.87 0.00 2.03 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 0.00 2.27 2.40 0.00 102 N 7.94 4.43 0.00 2.73 2.88 0.00 0.00 6.99 8.03 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 0.00 103 F 7.60 4.56 0.00 3.16 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 0.00 104 R 8.03 4.04 0.00 2.09 2.01 0.00 3.15 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.80 0.00 105 L 7.82 3.96 0.00 1.51 1.20 0.72 0.12 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 0.00 106 L 8.25 4.20 0.00 1.98 1.84 1.00 1.07 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 0.00 107 G 8.21 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 0.00 108 N 8.35 4.54 0.00 2.84 2.96 0.00 0.00 6.71 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.03 3.67 2.36 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 1.05 0.00 0.00 1.18 0.00 0.00 110 L 7.93 3.86 0.00 1.64 1.67 0.79 0.34 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 0.00 111 V 7.54 3.51 2.32 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 1.33 0.00 0.00 1.13 0.00 0.00 112 V 7.92 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 0.84 0.00 0.00 0.91 0.00 0.00 113 V 7.76 3.53 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 0.98 0.00 0.00 0.91 0.00 0.00 114 L 8.04 3.82 0.00 0.80 0.90 0.38 0.62 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 0.00 115 A 7.15 3.80 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 0.00 116 R 7.70 3.76 0.00 1.89 1.97 0.00 3.18 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 117 H 7.98 4.01 0.00 2.82 2.42 0.00 5.87 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.23 4.77 0.00 3.29 3.11 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 0.00 119 G 8.74 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 0.00 0.00 0.00 120 K 9.08 3.97 0.00 1.77 1.91 0.00 1.84 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.41 7.81 121 E 8.13 4.08 0.00 2.18 2.29 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 2.35 2.31 0.00 122 F 7.82 4.52 0.00 3.00 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 0.00 123 T 7.38 4.14 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 1.30 0.00 0.00 124 P 0.00 4.16 0.00 2.15 2.15 0.00 3.57 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 2.11 2.19 0.00 125 D 7.90 4.28 0.00 2.63 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 0.00 126 L 7.80 3.89 0.00 1.67 1.35 1.06 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 7.54 3.51 0.00 1.68 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 128 A 7.80 3.98 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 0.00 129 A 7.80 3.91 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 0.00 130 Y 8.26 3.96 0.00 3.47 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 0.00 131 Q 8.85 4.14 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.71 2.60 0.00 132 K 7.96 3.94 0.00 2.02 1.83 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.58 7.81 133 V 7.57 3.55 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 1.13 0.00 0.00 0.76 0.00 0.00 134 V 8.07 3.87 2.26 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 0.88 0.00 0.00 1.11 0.00 0.00 135 A 8.25 4.15 1.45 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 0.00 136 G 7.98 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 8.16 3.27 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 -0.09 0.00 0.00 1.07 0.00 0.00 138 A 8.09 3.92 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 0.00 139 N 7.91 4.36 0.00 2.88 2.89 0.00 0.00 7.27 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 0.00 140 A 8.05 4.15 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.83 3.83 0.00 1.21 0.46 -0.02 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.80 4.88 1.67 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 0.00 0.00 143 H 7.62 4.23 0.00 3.29 3.34 0.00 5.61 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.52 3.89 0.00 1.37 1.77 0.00 3.30 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 145 Y 7.25 4.54 0.00 3.17 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 0.00 146 H 9.13 4.14 0.00 3.30 3.23 0.00 5.84 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