NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7031 8.4249 118.1192 53.2956 39.9671 173.9369 2 N 4.4195 8.5436 117.0933 54.5156 39.3296 174.7528 3 C 4.5322 8.2956 113.9351 53.9363 40.7042 171.4352 4 P 4.3868 0.0000 0.0000 62.0741 31.5846 177.6337 5 L 3.9595 8.5436 120.2498 57.8548 41.5254 178.0864 6 D 4.7779 8.0759 115.4579 52.8523 39.7163 175.6115 7 W 4.5484 7.7638 118.3149 55.2838 32.4194 175.1334 8 L 4.1953 8.5972 125.3541 53.1636 42.5160 173.8610 9 P 4.9985 0.0000 0.0000 62.5319 32.5953 176.2551 10 M 4.3824 9.8596 123.6802 55.7429 35.1209 174.3598 11 N 4.2291 10.0491 125.8037 54.3419 36.3728 175.3260 12 G 3.9649 8.5752 105.5136 44.8721 0.0000 172.9028 13 L 4.8608 7.8706 118.6244 53.0219 45.8977 174.4285 14 C 5.6820 8.9499 116.8838 55.6550 39.6158 173.3075 15 Y 5.5031 9.3497 120.6772 56.3860 41.5847 174.6418 16 K 4.4980 8.3542 122.1295 54.8910 36.0144 174.4646 17 I 4.5086 8.1250 121.3008 59.7856 39.0757 174.8760 18 F 4.3165 8.7704 125.3590 55.5992 40.6022 176.5181 19 N 4.3951 8.7079 120.2630 54.8923 39.0928 175.6849 20 Q 4.2013 7.8932 117.5195 56.0496 29.3801 176.1531 21 L 4.7548 8.5749 123.8783 54.6494 42.7298 176.3105 22 K 4.8749 9.0768 121.9286 55.0123 37.4328 175.9662 23 T 5.3132 8.4449 111.1592 60.5183 70.0383 175.3631 24 W 2.7749 8.5514 131.9039 60.2970 30.3825 177.7666 25 E 3.7849 8.2219 118.5486 59.4483 29.1806 178.3001 26 D 4.3394 7.9491 117.9079 56.6640 40.8801 178.6610 27 A 2.9681 7.6600 121.8642 54.5947 18.2553 179.0123 28 E 3.5393 7.3894 117.7424 59.7719 29.4745 179.0957 29 M 4.0250 7.6788 117.8575 57.8594 32.2268 178.5045 30 F 4.0340 8.0973 121.1621 61.3850 39.6198 176.2430 31 C 4.4208 8.3437 116.1333 60.5374 39.8932 176.6097 32 R 3.8987 7.7927 119.0103 57.9663 29.6642 178.2625 33 K 4.2141 7.4183 115.7561 56.7849 32.4579 177.5014 34 Y 3.8333 7.6623 120.8336 59.0317 39.3369 175.2912 35 K 4.0474 7.0833 116.4539 54.6466 34.8863 171.9188 36 P 4.2404 0.0000 0.0000 64.2132 31.5589 176.7589 37 G 3.9012 8.8625 111.1236 45.1264 0.0000 174.1488 38 C 4.8467 7.6647 117.0637 57.2880 41.1667 172.0940 39 H 4.9357 8.7868 116.5286 54.7038 33.6662 173.1539 40 L 4.7282 9.1755 120.2909 54.6130 42.1042 177.6837 41 A 4.5506 9.1256 124.6450 52.5355 19.5578 176.9062 42 S 3.6860 8.8582 114.4090 55.8186 65.6162 173.6765 43 F 4.8107 6.9984 119.8515 56.4293 41.5273 175.1294 44 H 5.2450 8.7836 118.0153 55.0511 31.5721 173.4829 45 R 4.0090 6.9236 113.7136 53.7591 31.7680 174.7190 46 Y 4.5987 8.1244 122.2897 60.5066 38.4552 179.1399 47 G 3.4563 7.9936 105.7919 47.6541 0.0000 175.3877 48 E 3.8145 8.0051 120.8037 59.1932 29.4336 179.3785 49 S 4.5374 8.2180 114.6920 61.9796 63.0026 176.8104 50 L 3.9566 7.6146 120.9974 57.5430 41.3120 179.2076 51 E 3.8399 8.3205 119.4325 59.3517 29.5862 178.8168 52 I 3.7237 8.2580 119.8814 64.4161 37.2557 178.0701 53 A 4.1110 8.5105 121.9475 55.4370 18.2290 179.3790 54 E 3.8991 8.2210 117.5606 59.3491 29.6413 178.2633 55 Y 4.2481 8.1570 119.5949 60.8997 38.8486 178.1398 56 I 2.9529 7.6910 120.6320 64.3856 36.9451 178.7112 57 S 3.8107 7.5254 114.0986 61.0479 62.5983 175.8224 58 D 4.4019 7.4575 120.1190 55.7932 41.2047 177.3579 59 Y 4.2423 7.6456 114.7931 57.2889 39.0633 175.4854 60 H 4.4902 7.6508 115.9785 54.7166 29.7240 174.8175 61 K 4.1726 8.7496 118.2918 57.9729 34.2883 174.7762 62 G 3.7628 8.5016 110.4729 44.3583 0.0000 172.6122 63 Q 4.6917 8.2202 117.8171 55.6155 30.0385 175.7070 64 E 4.2130 8.2090 116.4029 56.1987 30.4912 176.6050 65 N 4.7822 8.3551 118.3893 53.1734 40.4625 173.9938 66 V 4.9333 8.3664 120.1949 60.8210 34.4761 174.8532 67 W 5.5009 9.3791 128.9801 57.0331 30.1021 175.3837 68 I 5.2307 9.2407 117.0506 58.6914 41.1718 176.0417 69 G 4.4487 9.6787 107.1892 47.4128 0.0000 172.8883 70 L 4.6357 8.0102 123.2571 54.1941 43.4036 175.5189 71 R 4.9501 8.7823 125.0826 55.3567 33.8465 173.4069 72 D 4.8324 8.8276 126.2748 52.4506 39.8333 176.7250 73 K 3.7355 8.2326 123.9933 58.9355 32.5629 178.5087 74 K 3.8762 7.7207 116.8240 57.2249 32.1666 178.4897 75 K 4.3696 7.6819 115.1124 56.8884 29.7601 175.7118 76 D 4.9368 7.2414 117.5535 53.1800 39.5271 176.3627 77 F 3.0745 8.1150 114.8636 59.3158 36.1783 175.9689 78 S 4.5701 7.6506 117.4899 56.5909 62.3237 172.5767 79 W 4.6770 8.3227 126.9079 57.1818 29.8294 175.3272 80 E 4.8615 9.0797 123.4904 54.3209 33.5467 174.9662 81 W 5.4349 8.7774 122.2580 56.0194 30.5091 177.9164 82 T 4.1061 9.0534 114.2704 64.5036 68.4039 174.9384 83 D 4.1830 8.2567 119.2628 52.8783 39.7554 176.4607 84 R 4.0474 7.9784 117.5925 57.3718 28.0458 176.3835 85 S 4.6667 8.2512 112.1455 57.2334 64.2989 173.8887 86 C 4.5181 8.5193 119.1409 60.7033 28.5292 174.8726 87 T 4.9969 8.5194 120.8950 62.7114 66.5939 174.0913 88 D 5.0380 8.5040 119.7882 52.7571 40.6328 176.4962 89 Y 4.9468 7.8875 119.4597 57.0757 41.7459 173.2524 90 L 3.8475 7.0071 124.3353 53.7229 46.4140 176.3465 91 T 3.9390 5.7900 114.4960 60.1420 67.4301 172.9072 92 W 4.7464 7.0254 122.8262 56.6170 30.6851 177.0330 93 D 4.6832 9.3186 123.5184 53.1528 42.9567 174.8038 94 K 3.8050 8.5063 121.2931 57.3604 32.4267 176.1385 95 N 4.3077 8.9835 124.1773 54.5593 35.7694 173.8323 96 Q 4.6290 7.5942 115.6256 53.1787 32.1351 173.8015 97 P 4.4597 0.0000 0.0000 61.5601 32.3009 175.6853 98 D 4.9060 8.8115 117.4902 52.6598 40.2307 175.2421 99 H 3.9207 9.3175 116.2827 57.1007 27.3987 173.3347 100 Y 4.1719 8.2349 118.4044 59.1100 38.7333 176.2630 101 Q 3.2689 8.5777 124.5318 56.6388 26.6735 173.1547 102 N 4.1537 8.1918 112.0584 54.2450 36.8149 175.1049 103 K 4.6907 7.8552 111.3107 56.3235 34.0796 175.1220 104 E 4.7532 7.3059 118.3419 55.3561 31.2365 175.3702 105 F 4.9667 8.4081 122.1063 57.1433 41.8280 174.7325 106 C 4.8668 8.3901 115.3316 55.1681 45.5209 173.1981 107 V 5.1661 8.6169 123.2488 61.5410 33.1051 174.4209 108 E 5.4838 9.0841 124.4462 54.5963 33.5057 174.6548 109 L 4.6119 9.5824 122.3238 54.5186 43.5779 176.1510 110 V 4.2562 8.7236 124.1287 61.9378 32.2951 176.8162 111 S 2.7900 9.2212 123.8996 60.9114 62.3715 176.0015 112 L 4.0281 7.6723 118.4209 56.8234 41.3350 177.4676 113 T 4.3019 7.7134 108.4211 60.9514 68.8900 175.2901 114 G 3.7248 8.1179 108.4656 47.1345 0.0000 173.8816 115 Y 3.7145 7.4812 113.9386 58.9244 35.7318 171.0141 116 R 4.4245 7.7612 119.4266 57.4331 31.3815 176.9814 117 L 4.7794 7.9118 116.7842 53.2047 44.3514 176.2730 118 W 5.4871 8.4467 120.8596 55.9185 32.2391 174.9133 119 N 5.4723 8.6760 119.0784 52.6593 42.2411 173.1411 120 D 5.3165 8.9684 126.2920 53.5236 40.8871 174.9702 121 Q 4.6230 10.1231 123.6298 53.8309 34.0053 174.0886 122 V 4.3525 8.3799 120.7815 62.5379 31.9614 177.4728 123 C 4.2440 9.0662 125.2375 59.7952 40.2366 175.0750 124 E 4.1839 8.1819 116.6816 57.1605 29.9956 176.4536 125 S 4.6261 8.3317 114.8711 58.1041 63.9193 172.7257 126 K 5.3537 8.5984 123.0102 55.4146 34.1387 175.2422 127 D 4.7496 9.0322 121.8168 52.7298 46.2594 174.4556 128 A 4.8161 8.5949 122.5338 52.1387 20.1787 176.2259 129 F 5.4354 8.7536 112.6699 55.8371 42.0376 173.5148 130 L 5.1090 8.8591 122.3832 53.9399 43.8035 175.0067 131 C 5.3718 9.2285 124.6143 56.3455 43.9734 172.7769 132 Q 4.8661 9.2731 121.6910 54.8643 31.9927 173.3066 133 C 5.2293 9.4648 122.7438 55.2066 45.5071 172.7301 134 K 4.7981 8.1588 118.7368 54.6416 34.3529 176.7633 135 F 4.1190 8.7704 122.2863 57.5185 39.2462 175.4164 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 N 8.42 4.70 0.00 2.67 2.76 0.00 0.00 6.93 7.11 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 2 N 8.54 4.42 0.00 2.75 2.84 0.00 0.00 6.71 6.78 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 3 C 8.30 4.53 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 4 P 0.00 4.39 0.00 2.11 1.86 0.00 2.50 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.42 0.00 5 L 8.54 3.96 0.00 1.62 1.76 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.08 4.78 0.00 2.68 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 7 W 7.76 4.55 0.00 3.09 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 8 L 8.60 4.20 0.00 0.70 1.00 0.69 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 5.00 0.00 1.95 1.94 0.00 3.67 0.00 0.00 3.72 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 10 M 9.86 4.38 0.00 1.83 1.72 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 11 N 10.05 4.23 0.00 2.85 2.82 0.00 0.00 7.36 7.65 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 12 G 8.58 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 0.00 0.00 0.00 13 L 7.87 4.86 0.00 1.64 1.28 0.85 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 14 C 8.95 5.68 0.00 2.93 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 15 Y 9.35 5.50 0.00 2.67 2.76 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 16 K 8.35 4.50 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.35 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.30 0.54 7.81 17 I 8.12 4.51 1.59 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.38 0.67 0.00 0.00 18 F 8.77 4.32 0.00 1.51 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 0.00 0.00 0.00 19 N 8.71 4.40 0.00 2.65 2.80 0.00 0.00 7.10 7.69 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 20 Q 7.89 4.20 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 21 L 8.57 4.75 0.00 1.60 1.69 0.95 0.95 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 22 K 9.08 4.87 0.00 1.48 1.54 0.00 0.93 0.00 0.00 1.52 0.00 0.00 2.78 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.44 7.81 23 T 8.44 5.31 4.51 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 1.35 0.00 0.00 24 W 8.55 2.77 0.00 1.78 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 25 E 8.22 3.78 0.00 2.30 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 2.40 2.44 0.00 26 D 7.95 4.34 0.00 2.66 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 27 A 7.66 2.97 0.83 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 28 E 7.39 3.54 0.00 1.39 1.63 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 1.47 1.97 0.00 29 M 7.68 4.02 0.00 1.98 2.04 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 2.63 0.00 30 F 8.10 4.03 0.00 3.04 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 31 C 8.34 4.42 0.00 3.24 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 32 R 7.79 3.90 0.00 1.71 1.91 0.00 3.00 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 33 K 7.42 4.21 0.00 1.65 1.62 0.00 1.60 0.00 0.00 1.53 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.46 7.81 34 Y 7.66 3.83 0.00 2.96 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 35 K 7.08 4.05 0.00 1.58 1.44 0.00 1.19 0.00 0.00 0.79 0.00 0.00 2.38 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.02 1.09 7.81 36 P 0.00 4.24 0.00 1.97 1.90 0.00 3.55 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.99 0.00 37 G 8.86 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 C 7.66 4.85 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 39 H 8.79 4.94 0.00 3.07 3.29 0.00 5.62 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 9.18 4.73 0.00 1.60 1.76 0.31 0.78 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 41 A 9.13 4.55 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 42 S 8.86 3.69 0.00 2.72 3.30 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 43 F 7.00 4.81 0.00 3.62 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 44 H 8.78 5.25 0.00 3.06 3.26 0.00 5.69 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 45 R 6.92 4.01 0.00 1.85 1.87 0.00 2.95 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.44 0.00 46 Y 8.12 4.60 0.00 3.13 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.99 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.01 3.81 0.00 2.08 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 2.18 2.31 0.00 49 S 8.22 4.54 0.00 4.17 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.61 3.96 0.00 1.67 1.57 0.42 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.32 3.84 0.00 1.97 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 2.14 2.30 0.00 52 I 8.26 3.72 2.20 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.29 1.14 0.00 0.00 53 A 8.51 4.11 1.55 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 54 E 8.22 3.90 0.00 2.19 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 0.00 2.35 2.33 0.00 55 Y 8.16 4.25 0.00 2.94 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 56 I 7.69 2.95 1.38 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.40 -0.28 0.00 0.00 57 S 7.53 3.81 0.00 3.94 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 58 D 7.46 4.40 0.00 2.85 2.38 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 59 Y 7.65 4.24 0.00 2.35 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 60 H 7.65 4.49 0.00 3.05 3.04 0.00 5.52 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 61 K 8.75 4.17 0.00 1.64 1.66 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.29 1.27 7.81 62 G 8.50 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 63 Q 8.22 4.69 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.98 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 64 E 8.21 4.21 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 65 N 8.36 4.78 0.00 2.67 2.69 0.00 0.00 6.31 7.68 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 66 V 8.37 4.93 2.25 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 1.13 0.00 0.00 1.01 0.00 0.00 67 W 9.38 5.50 0.00 3.47 3.07 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 68 I 9.24 5.23 2.42 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.15 1.13 0.00 0.00 69 G 9.68 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 0.00 0.00 0.00 0.00 70 L 8.01 4.64 0.00 0.62 1.05 -0.53 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.78 4.95 0.00 0.91 1.32 0.00 2.93 0.00 0.00 2.45 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.92 0.00 72 D 8.83 4.83 0.00 1.58 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 0.00 0.00 0.00 0.00 73 K 8.23 3.74 0.00 1.65 1.71 0.00 1.82 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.37 7.81 74 K 7.72 3.88 0.00 1.98 1.74 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.38 7.81 75 K 7.68 4.37 0.00 1.70 1.66 0.00 1.23 0.00 0.00 0.97 0.00 0.00 2.54 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.30 0.90 7.81 76 D 7.24 4.94 0.00 2.78 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 77 F 8.12 3.07 0.00 3.07 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 78 S 7.65 4.57 0.00 3.86 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 79 W 8.32 4.68 0.00 3.28 3.14 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 80 E 9.08 4.86 0.00 1.95 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 2.27 2.44 0.00 81 W 8.78 5.43 0.00 3.47 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 82 T 9.05 4.11 4.41 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 1.61 0.00 0.00 83 D 8.26 4.18 0.00 2.77 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 84 R 7.98 4.05 0.00 2.07 2.16 0.00 3.20 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 85 S 8.25 4.67 0.00 3.99 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 86 C 8.52 4.52 0.00 3.12 3.07 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 87 T 8.52 5.00 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 88 D 8.50 5.04 0.00 2.94 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 89 Y 7.89 4.95 0.00 3.18 3.07 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 90 L 7.01 3.85 0.00 1.30 0.85 1.12 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 91 T 5.79 3.94 3.34 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 -0.24 0.00 0.00 92 W 7.03 4.75 0.00 3.10 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 93 D 9.32 4.68 0.00 2.92 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 94 K 8.51 3.80 0.00 1.80 1.72 0.00 1.93 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.48 7.81 95 N 8.98 4.31 0.00 2.91 2.91 0.00 0.00 6.93 7.69 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 96 Q 7.59 4.63 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.87 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 97 P 0.00 4.46 0.00 2.28 0.49 0.00 2.58 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.40 0.00 98 D 8.81 4.91 0.00 2.83 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 99 H 9.32 3.92 0.00 3.16 3.12 0.00 5.85 0.00 0.00 0.00 0.00 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 8.23 4.17 0.00 3.27 3.18 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 0.00 101 Q 8.58 3.27 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.49 0.00 0.00 0.00 0.00 0.00 1.76 1.16 0.00 102 N 8.19 4.15 0.00 2.76 2.89 0.00 0.00 6.59 7.16 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 0.00 103 K 7.86 4.69 0.00 1.94 1.95 0.00 1.29 0.00 0.00 1.66 0.00 0.00 3.15 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.42 7.81 104 E 7.31 4.75 0.00 1.70 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 0.00 2.24 2.40 0.00 105 F 8.41 4.97 0.00 2.78 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 0.00 106 C 8.39 4.87 0.00 2.74 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.62 5.17 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 0.71 0.00 0.00 0.84 0.00 0.00 108 E 9.08 5.48 0.00 1.94 1.63 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 2.42 2.22 0.00 109 L 9.58 4.61 0.00 1.73 1.85 1.23 0.78 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 0.00 110 V 8.72 4.26 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 0.85 0.00 0.00 0.96 0.00 0.00 111 S 9.22 2.79 0.00 3.75 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 0.00 112 L 7.67 4.03 0.00 1.59 1.64 0.87 0.76 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 0.00 113 T 7.71 4.30 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 1.18 0.00 0.00 114 G 8.12 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 0.00 115 Y 7.48 3.71 0.00 3.22 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 0.00 116 R 7.76 4.42 0.00 1.99 2.03 0.00 3.21 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 117 L 7.91 4.78 0.00 1.62 1.65 0.95 0.71 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 0.00 118 W 8.45 5.49 0.00 2.86 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 0.00 119 N 8.68 5.47 0.00 2.86 2.70 0.00 0.00 7.34 8.90 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 0.00 120 D 8.97 5.32 0.00 2.98 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 0.00 121 Q 10.12 4.62 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.02 0.00 0.00 0.00 0.00 0.00 2.31 2.55 0.00 122 V 8.38 4.35 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 1.40 0.00 0.00 1.09 0.00 0.00 123 C 9.07 4.24 0.00 3.04 3.07 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 0.00 124 E 8.18 4.18 0.00 2.05 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 0.00 2.35 2.29 0.00 125 S 8.33 4.63 0.00 4.09 4.06 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 0.00 126 K 8.60 5.35 0.00 1.76 1.88 0.00 2.04 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.56 7.81 127 D 9.03 4.75 0.00 1.58 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 0.00 0.00 0.00 128 A 8.59 4.82 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 0.00 129 F 8.75 5.44 0.00 3.22 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 0.00 130 L 8.86 5.11 0.00 1.93 1.83 1.18 1.74 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 0.00 131 C 9.23 5.37 0.00 3.25 3.30 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 0.00 132 Q 9.27 4.87 0.00 1.78 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.63 0.00 0.00 0.00 0.00 0.00 2.00 1.59 0.00 133 C 9.46 5.23 0.00 2.40 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 0.00 0.00 0.00 0.00 134 K 8.16 4.80 0.00 1.43 1.61 0.00 1.53 0.00 0.00 1.67 0.00 0.00 2.74 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.25 1.38 7.81 135 F 8.77 4.12 0.00 2.97 2.82 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