NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9588 8.3544 109.7336 45.7013 0.0000 173.7728 2 S 4.5978 8.5423 121.7184 57.4314 63.0555 172.0637 3 S 4.5309 8.1949 113.8989 57.5917 67.4073 174.0096 4 G 3.8281 9.1626 112.3902 46.5191 0.0000 173.8677 5 S 4.4929 8.1894 119.9946 56.9166 61.2951 172.9964 6 S 4.3883 8.5339 120.5517 53.5024 61.0149 172.9496 7 G 3.7051 7.9326 109.2394 42.6490 0.0000 168.7077 8 P 4.4736 0.0000 0.0000 62.4751 32.1921 175.1868 9 K 4.5773 8.0039 117.5016 53.6842 34.0434 175.0023 10 P 4.4120 0.0000 0.0000 61.7489 32.0134 174.6501 11 P 4.6187 0.0000 0.0000 62.7964 32.1617 175.2564 12 I 4.4937 7.8269 111.8346 59.6077 40.4669 174.5563 13 D 4.4582 8.5316 116.1609 55.3696 37.7135 174.1921 14 L 4.6410 8.0333 121.7593 55.2815 41.9584 175.7443 15 V 4.7447 8.9567 125.6843 61.1260 35.6695 173.5499 16 V 5.0497 8.3549 124.9143 60.0078 32.6400 175.2352 17 T 4.2589 8.6616 118.2684 63.1817 68.5173 174.3793 18 E 4.7422 7.8282 119.6485 54.5360 32.3862 175.2663 19 T 4.7432 8.1879 111.2196 60.6215 70.6975 173.6440 20 T 4.4709 8.7324 123.6772 61.5072 70.6335 176.1224 21 A 4.3040 8.5600 125.7900 55.1022 18.2665 178.9355 22 T 4.7762 7.5991 104.2443 61.1516 70.6307 173.7106 23 S 4.7238 7.9582 116.6794 59.1065 68.3128 173.8636 24 V 4.6227 8.6850 120.1049 62.0950 35.6407 173.1105 25 T 4.7001 9.1128 123.9132 61.9187 70.5933 172.9782 26 L 5.0832 8.5345 129.4274 53.3974 44.9036 175.2379 27 T 4.9270 8.8642 115.0459 59.9642 72.6235 172.3117 28 W 5.2367 7.1931 117.9724 57.2381 31.2427 172.5935 29 D 5.0005 9.1623 120.0939 52.2402 43.0815 176.9150 30 S 4.1371 8.9187 118.4643 61.1754 62.9134 175.2795 31 G 4.4045 8.2259 111.3335 44.9054 0.0000 173.2923 32 N 4.8634 7.8063 116.1949 51.0971 38.8712 175.3414 33 S 4.3196 8.6953 118.0952 61.1708 63.4160 175.0908 34 E 4.0636 7.9670 117.1539 55.1823 29.8528 174.7097 35 P 4.3183 0.0000 0.0000 62.9949 31.3981 176.0273 36 V 4.2155 8.1032 122.9563 61.4238 32.8031 175.0121 37 T 4.3520 7.8141 120.1619 65.6335 68.7161 174.9413 38 Y 5.4115 8.2787 116.5206 56.2096 42.7277 172.4076 39 Y 4.7204 9.0479 116.2131 56.2043 41.2514 176.2203 40 G 4.2725 8.5239 111.8114 45.7192 0.0000 172.3601 41 I 5.2458 8.5724 120.3755 59.4461 41.4449 174.7190 42 Q 5.8874 9.1380 123.9123 53.5694 32.8361 173.8521 43 Y 5.7152 8.0319 118.6415 57.7457 41.2749 172.9915 44 R 4.6323 8.8339 117.5324 55.1009 33.3037 172.7779 45 A 2.5800 8.4569 125.1413 50.9819 19.1650 176.5013 46 A 3.5398 7.8383 124.7348 53.9656 18.2969 174.7497 47 G 3.5334 9.5178 117.0516 45.1109 0.0000 173.0010 48 T 3.8553 6.9284 119.4803 63.6201 69.2719 174.3290 49 E 4.8235 8.6551 123.7975 56.4731 30.6347 175.9683 50 G 4.4365 7.7096 110.7318 43.4878 0.0000 171.6054 51 P 4.5341 0.0000 0.0000 62.8969 32.0692 175.5219 52 F 4.6645 8.6946 119.8789 55.6645 41.0563 175.4143 53 Q 3.9729 8.4221 121.5529 55.9838 30.3054 176.0004 54 E 5.1464 8.4658 120.2970 54.6908 32.8857 174.6516 55 V 4.6339 8.9473 126.3955 61.1147 34.6906 173.6445 56 D 5.3144 8.8644 126.9994 51.9362 42.1262 175.6624 57 G 4.0895 8.6185 110.5105 46.7645 0.0000 174.9318 58 V 4.3079 7.7244 121.3270 60.8597 31.2966 174.3840 59 A 4.8236 8.4326 127.6107 51.9151 18.6767 176.9989 60 T 4.6839 7.6115 107.8095 61.2600 71.7754 173.7606 61 T 3.3126 7.8977 110.9646 62.5366 70.2232 174.0566 62 R 4.3058 7.2243 122.0643 54.4354 32.4131 174.3259 63 Y 4.8839 8.5139 125.4032 56.2635 42.9090 173.1560 64 S 5.0781 7.5102 119.8866 56.5635 65.3097 173.2246 65 I 4.3672 8.5845 125.1586 60.1327 38.8607 175.0296 66 G 4.3159 8.4437 111.9690 44.7399 0.0000 171.9148 67 G 3.9376 8.5134 104.7137 46.1437 0.0000 173.5171 68 L 4.5121 7.6852 118.5093 52.7211 44.2811 175.7507 69 S 4.8671 8.2136 115.3524 56.2123 64.5772 172.8739 70 P 5.0560 0.0000 0.0000 63.4600 32.0952 175.8860 71 F 4.1911 9.3671 121.7450 58.7262 38.2095 174.0025 72 S 4.7681 8.4026 113.8889 56.5928 67.5256 173.1887 73 E 5.0149 8.4125 120.6339 54.7494 32.0899 174.1004 74 Y 5.0295 8.4412 121.6137 56.3063 43.0706 173.7283 75 A 5.0326 8.2981 123.1647 50.6999 21.1960 176.1490 76 F 5.7210 9.2350 120.8738 55.9575 43.0047 175.2800 77 R 4.6041 8.6138 117.6957 55.6619 32.7256 173.9505 78 V 4.6365 8.1598 124.3611 61.0393 34.1973 174.1679 79 L 4.8978 8.2845 124.5737 54.2669 44.3018 174.7894 80 A 3.4274 8.1451 121.5222 50.9548 20.8865 176.4283 81 V 4.6231 7.6678 119.0271 61.3215 35.7700 173.9597 82 N 5.5714 8.1915 121.6734 50.6076 40.7241 174.9500 83 S 4.2302 8.9484 113.7700 61.9972 63.0687 176.6008 84 I 3.7940 8.8122 121.0216 62.0279 36.7037 176.4605 85 G 3.9782 7.1044 108.4463 45.0897 0.0000 171.2714 86 R 4.3836 8.2169 116.8715 55.3727 30.2715 177.3228 87 G 3.9658 8.1963 112.5212 44.7695 0.0000 171.0456 88 P 4.7012 0.0000 0.0000 61.7447 32.0772 174.7607 89 P 4.3763 0.0000 0.0000 62.9389 32.2463 175.9130 90 S 4.3809 8.0828 116.6327 57.2091 64.0402 172.4321 91 E 4.0517 8.8667 121.0976 56.2201 29.2479 176.7822 92 A 4.1668 8.5122 125.3259 52.9348 18.9379 176.9144 93 V 4.5726 8.9655 115.5706 59.6668 35.5474 175.1680 94 R 5.1628 8.5823 119.9937 54.5560 32.8000 174.7524 95 A 4.8002 8.9238 125.7573 50.0224 22.0824 174.5727 96 R 4.8657 8.7521 124.0279 55.4466 30.7738 176.3878 97 T 4.1977 9.2775 117.7677 61.7143 70.4144 174.2046 98 G 4.0046 8.7673 110.4094 45.6046 0.0000 173.2408 99 E 5.0438 8.4398 115.3348 55.8135 30.3603 178.4874 100 Q 3.7907 8.4211 121.4827 60.5055 29.4361 177.0763 101 S 4.1243 8.4541 110.6783 60.6897 62.4947 174.0553 102 G 3.9855 7.3796 107.1620 45.6801 0.0000 170.8844 103 P 4.3376 0.0000 0.0000 65.7032 32.0433 177.1447 104 S 4.5514 7.5732 110.2056 56.4297 65.6098 172.3385 105 S 4.3632 8.0865 116.1011 56.8223 64.0368 173.6920 106 G 4.2631 8.8347 115.8089 46.1529 0.0000 172.6628 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 G 8.35 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 2 S 8.54 4.60 0.00 3.86 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 3 S 8.19 4.53 0.00 3.82 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 4 G 9.16 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 5 S 8.19 4.49 0.00 3.81 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.53 4.39 0.00 3.84 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 7 G 7.93 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 8 P 0.00 4.47 0.00 2.04 1.98 0.00 3.69 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.81 0.00 9 K 8.00 4.58 0.00 1.76 1.76 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.34 7.81 10 P 0.00 4.41 0.00 2.14 2.24 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 11 P 0.00 4.62 0.00 2.12 2.23 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.62 0.00 12 I 7.83 4.49 1.92 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 1.37 1.00 0.95 0.00 0.00 13 D 8.53 4.46 0.00 3.05 2.85 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 14 L 8.03 4.64 0.00 1.69 1.68 0.89 0.95 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 15 V 8.96 4.74 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 1.00 0.00 0.00 1.01 0.00 0.00 16 V 8.35 5.05 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 1.27 0.00 0.00 0.98 0.00 0.00 17 T 8.66 4.26 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 1.17 0.00 0.00 18 E 7.83 4.74 0.00 1.95 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 2.26 2.16 0.00 19 T 8.19 4.74 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 1.27 0.00 0.00 20 T 8.73 4.47 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 21 A 8.56 4.30 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 22 T 7.60 4.78 4.26 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 1.28 0.00 0.00 23 S 7.96 4.72 0.00 3.70 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 24 V 8.69 4.62 1.77 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 0.99 0.00 0.00 1.10 0.00 0.00 25 T 9.11 4.70 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 26 L 8.53 5.08 0.00 1.53 1.67 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.86 4.93 4.13 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 1.12 0.00 0.00 28 W 7.19 5.24 0.00 3.48 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 29 D 9.16 5.00 0.00 2.78 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 30 S 8.92 4.14 0.00 4.12 4.03 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 31 G 8.23 4.40 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 0.00 32 N 7.81 4.86 0.00 2.85 2.85 0.00 0.00 6.19 7.70 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 33 S 8.70 4.32 0.00 3.90 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 34 E 7.97 4.06 0.00 2.08 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 2.29 2.30 0.00 35 P 0.00 4.32 0.00 2.23 2.16 0.00 3.76 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 36 V 8.10 4.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 1.03 0.00 0.00 37 T 7.81 4.35 4.52 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 0.00 0.00 0.00 1.41 0.00 0.00 38 Y 8.28 5.41 0.00 3.09 3.08 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 39 Y 9.05 4.72 0.00 3.16 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 40 G 8.52 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 41 I 8.57 5.25 1.84 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.73 0.98 0.00 0.00 42 Q 9.14 5.89 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 43 Y 8.03 5.72 0.00 2.94 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.83 4.63 0.00 1.28 0.66 0.00 2.61 0.00 0.00 2.99 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.18 0.00 45 A 8.46 2.58 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.84 3.54 1.13 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 0.00 0.00 47 G 9.52 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 6.93 3.86 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 1.15 0.00 0.00 49 E 8.66 4.82 0.00 1.95 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 2.35 2.23 0.00 50 G 7.71 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 0.00 0.00 0.00 0.00 51 P 0.00 4.53 0.00 2.22 2.10 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 52 F 8.69 4.66 0.00 2.80 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 53 Q 8.42 3.97 0.00 1.04 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.73 0.00 0.00 0.00 0.00 0.00 2.10 1.97 0.00 54 E 8.47 5.15 0.00 1.93 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 55 V 8.95 4.63 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 1.02 0.00 0.00 1.19 0.00 0.00 56 D 8.86 5.31 0.00 2.36 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 57 G 8.62 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 0.00 0.00 0.00 58 V 7.72 4.31 2.51 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 1.32 0.00 0.00 0.72 0.00 0.00 59 A 8.43 4.82 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 60 T 7.61 4.68 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 1.19 0.00 0.00 61 T 7.90 3.31 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 0.93 0.00 0.00 62 R 7.22 4.31 0.00 1.51 1.61 0.00 3.11 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.52 0.00 63 Y 8.51 4.88 0.00 3.25 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 64 S 7.51 5.08 0.00 3.76 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 65 I 8.58 4.37 1.63 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.67 0.35 0.00 0.00 66 G 8.44 4.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.51 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 0.00 0.00 0.00 68 L 7.69 4.51 0.00 1.57 1.34 0.95 0.42 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 69 S 8.21 4.87 0.00 4.02 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 70 P 0.00 5.06 0.00 2.27 2.12 0.00 3.60 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 71 F 9.37 4.19 0.00 3.04 3.19 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 0.00 0.00 0.00 0.00 72 S 8.40 4.77 0.00 3.95 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 73 E 8.41 5.01 0.00 1.92 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 74 Y 8.44 5.03 0.00 2.82 2.39 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 75 A 8.30 5.03 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 76 F 9.24 5.72 0.00 2.98 2.90 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 77 R 8.61 4.60 0.00 1.75 1.97 0.00 2.58 0.00 0.00 2.95 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.54 0.00 78 V 8.16 4.64 1.01 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 0.15 0.00 0.00 -0.22 0.00 0.00 79 L 8.28 4.90 0.00 1.57 1.64 0.86 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.15 3.43 0.68 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 81 V 7.67 4.62 0.68 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 0.89 0.00 0.00 0.43 0.00 0.00 82 N 8.19 5.57 0.00 2.83 2.79 0.00 0.00 6.80 7.47 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 83 S 8.95 4.23 0.00 3.88 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.81 3.79 1.95 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.72 0.89 0.00 0.00 85 G 7.10 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 0.00 0.00 0.00 86 R 8.22 4.38 0.00 1.69 1.83 0.00 3.01 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 87 G 8.20 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 4.70 0.00 2.04 2.02 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 89 P 0.00 4.38 0.00 2.01 2.00 0.00 3.69 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.87 0.00 90 S 8.08 4.38 0.00 3.95 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 91 E 8.87 4.05 0.00 1.90 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 2.32 2.35 0.00 92 A 8.51 4.17 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.97 4.57 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 0.93 0.00 0.00 1.15 0.00 0.00 94 R 8.58 5.16 0.00 1.67 1.83 0.00 3.15 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 95 A 8.92 4.80 1.48 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 0.00 0.00 0.00 96 R 8.75 4.87 0.00 1.83 1.87 0.00 2.89 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 97 T 9.28 4.20 4.64 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 1.36 0.00 0.00 98 G 8.77 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.44 5.04 0.00 1.99 1.96 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 1.96 2.27 0.00 100 Q 8.42 3.79 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.04 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 101 S 8.45 4.12 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 0.00 102 G 7.38 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 0.00 103 P 0.00 4.34 0.00 2.22 2.22 0.00 3.77 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 104 S 7.57 4.55 0.00 3.80 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 0.00 105 S 8.09 4.36 0.00 3.78 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 0.00 106 G 8.83 4.26 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 0.00