NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1679 8.1727 122.0504 56.2847 34.1229 174.0466 2 V 4.6186 8.1512 127.0103 60.6545 32.3705 174.4946 3 F 4.3693 9.2313 127.8936 57.4715 40.2111 174.6272 4 E 4.1817 9.3543 123.2785 55.5246 30.8164 176.6353 5 R 3.4131 9.0249 125.0297 60.6918 30.0815 179.3590 6 C 4.3872 8.0626 115.3923 59.6379 34.4852 175.7271 7 E 3.9017 8.0979 120.9825 59.0356 29.3071 178.4357 8 L 3.6374 8.0555 120.2757 57.7440 42.1140 178.5112 9 A 3.9603 7.8046 120.7962 55.5508 18.3384 179.9276 10 R 3.9144 8.0154 116.3198 59.5469 30.0897 179.5826 11 T 3.8812 7.6966 115.1548 66.6339 68.5111 176.8503 12 L 3.9065 8.2616 121.3509 57.5062 41.5514 179.5455 13 K 3.9394 8.1749 119.6492 59.5657 31.9821 178.9291 14 R 3.9202 7.8429 117.6774 58.8822 29.9692 177.3951 15 L 4.4342 7.4816 116.6940 53.8232 41.8392 176.5516 16 G 3.8199 7.9708 106.7336 47.1634 0.0000 175.1592 17 M 3.9280 7.9075 120.7493 55.9812 32.6858 175.7959 18 D 4.6505 8.0026 117.7856 56.5433 40.9849 175.9801 19 G 3.9929 9.4651 116.6077 45.0155 0.0000 171.5105 20 Y 4.2260 8.1778 122.0639 58.9988 38.9027 176.2893 21 R 3.6007 9.0999 125.7273 57.1649 27.6857 177.4182 22 G 3.9133 8.4594 105.2845 45.4645 0.0000 174.2484 23 I 4.0951 7.6241 122.1206 59.5560 38.3956 175.9738 24 S 4.6215 8.2838 119.7570 57.6700 64.0536 174.8140 25 L 4.2013 8.8758 123.2135 58.6611 41.7434 179.3563 26 A 4.1274 8.1444 119.9374 55.2696 18.2553 179.1935 27 N 4.4036 7.9634 114.7508 56.1458 38.6218 177.7320 28 W 4.3127 7.8204 120.0220 59.8558 29.2364 178.3713 29 M 4.2205 8.4632 118.9711 58.6106 31.5516 177.9689 30 C 3.2552 8.1392 118.6613 59.0292 43.9322 175.3788 31 L 4.0897 8.1247 121.8041 58.2283 41.7458 178.7835 32 A 4.2062 8.2791 120.7211 54.9870 18.3150 179.3978 33 K 2.9945 8.1950 118.0274 59.4213 32.0730 179.0303 34 W 4.2078 7.7599 116.5229 58.9856 29.1066 178.1027 35 E 4.4343 8.2366 118.4943 58.4653 29.3468 177.5473 36 S 4.4918 8.2375 109.1129 56.9467 65.5188 175.2019 37 G 3.5542 8.1595 109.0530 46.4153 0.0000 173.5275 38 Y 3.7757 7.7675 114.3525 58.3991 34.9514 167.7679 39 N 5.3488 7.6748 119.9478 52.0714 39.8678 175.9780 40 T 4.0912 8.8407 116.6732 63.9359 69.1326 175.8152 41 R 4.3691 8.2627 119.9601 55.8237 30.5942 176.2496 42 A 4.4155 7.6498 121.9453 52.5437 19.4318 177.1891 43 T 5.3180 8.1697 109.1561 60.3789 72.3842 172.9662 44 N 4.8601 8.3143 121.2422 52.7620 42.3108 172.2440 45 Y 4.8742 8.7596 127.9798 56.9561 40.5219 174.4433 46 N 4.5416 8.4820 124.4768 51.1819 39.4501 175.2244 47 A 3.5383 8.3706 128.0455 54.7978 18.2844 178.4347 48 G 3.7400 7.5233 102.9498 48.4967 0.0000 173.3197 49 D 4.7019 7.7705 115.8016 51.4558 39.9430 176.7030 50 R 3.7563 7.5383 116.6463 57.8410 28.2331 175.8582 51 S 4.9501 7.2183 107.8925 57.0203 66.6729 172.6757 52 T 5.1165 8.9505 115.5926 61.9802 72.9847 172.9544 53 D 5.4467 9.0000 125.2548 53.2859 43.1195 175.1332 54 Y 4.8726 9.1332 120.8164 57.3792 41.8274 177.3198 55 G 4.1580 8.8543 111.4564 45.1092 0.0000 173.6623 56 I 4.0957 8.1748 116.8190 62.7403 37.7431 176.8473 57 F 4.7103 7.8741 115.5262 56.3744 40.3311 174.9685 58 Q 3.6976 7.8877 119.1794 57.0291 26.2044 173.5023 59 I 4.5304 8.2947 119.4973 60.5809 39.2503 176.9265 60 N 5.3486 9.2310 126.1564 53.8039 39.8977 175.3499 61 S 4.9114 9.0144 119.3831 59.3464 63.5169 175.2078 62 R 3.8327 8.8084 122.8020 59.0159 30.3823 177.2923 63 Y 4.1175 7.6032 114.4439 57.8992 40.5350 177.6003 64 W 4.8806 8.0812 118.3178 57.9974 31.0376 173.9495 65 C 5.6197 8.2838 112.7977 53.5146 46.0207 171.8010 66 N 5.0021 9.1002 119.7770 52.1975 39.8108 174.8362 67 D 4.8286 8.7946 124.3491 52.4131 40.0373 177.1630 68 G 3.9654 8.6596 107.1979 46.3189 0.0000 174.5059 69 K 4.6091 8.6934 116.5430 56.3622 33.8627 175.6796 70 T 4.5571 7.7995 117.0052 61.1689 70.0244 172.2012 71 P 4.2502 0.0000 0.0000 63.8496 31.8310 176.2271 72 G 3.7814 8.8534 108.8182 46.1820 0.0000 173.4621 73 A 4.1477 7.3282 120.5476 52.2366 18.8375 178.5820 74 V 3.9129 8.2156 120.5949 62.2084 33.6902 175.4650 75 N 4.2435 8.0376 116.4749 54.5121 36.7478 174.9191 76 A 4.0288 8.3125 121.4934 55.0242 19.0590 178.3740 77 C 4.5751 8.5243 111.6833 57.0508 41.1147 173.0820 78 H 4.1159 7.8053 116.2952 56.6875 26.4941 174.3578 79 L 4.8396 8.1282 116.9402 52.9296 46.1967 176.3444 80 S 4.7889 8.3652 115.6279 57.6725 63.4074 175.9392 81 C 4.0733 8.6808 125.3484 59.8859 34.1604 176.6262 82 S 3.8475 7.7644 115.3378 60.9205 62.3032 176.0086 83 A 4.1954 8.0600 123.5918 53.7729 18.0724 177.7153 84 L 4.5512 7.7565 117.1340 54.6343 41.7911 177.4580 85 L 5.5981 7.5779 115.8626 53.6507 42.5893 176.6470 86 Q 4.4640 7.7862 117.6468 54.9053 29.8583 175.8094 87 D 4.3685 8.5711 119.8474 57.0808 41.0659 176.5329 88 N 4.6465 8.0405 118.0960 52.9602 38.9466 174.3502 89 I 4.3236 8.4228 119.5318 61.0994 38.0891 177.1619 90 A 3.9393 7.9012 124.6054 56.0557 18.2436 180.1654 91 D 4.3096 8.0954 116.6358 57.3238 40.9594 178.7177 92 A 4.0739 7.9642 120.9966 55.1809 18.4809 179.7266 93 V 3.3637 8.1630 116.8079 65.8760 31.5758 178.1615 94 A 3.8372 7.9047 120.7079 55.1997 18.1209 178.8220 95 C 4.2201 8.1654 117.0944 59.4493 43.2548 175.4873 96 L 3.5894 7.6997 122.1073 57.9547 41.3172 179.1453 97 K 3.6230 7.3292 117.4642 59.0969 32.1449 179.0076 98 R 4.0533 7.3110 118.5065 59.1319 29.5896 178.4968 99 V 2.0000 7.4018 118.1694 65.5655 30.9956 177.9591 100 V 3.9777 7.7271 110.2952 62.6505 31.4378 177.6036 101 R 4.1448 7.5845 117.8401 56.9663 30.2691 175.9227 102 D 4.7282 7.1747 117.3471 53.6369 41.8993 175.3243 103 P 4.2272 0.0000 0.0000 66.0557 31.5158 178.0380 104 Q 4.0077 8.2219 118.6130 56.9310 30.2512 176.3862 105 G 3.8320 7.8828 107.3870 46.7126 0.0000 175.1019 106 I 3.9139 8.0469 119.6877 63.2978 37.9896 178.1360 107 R 4.3046 7.4780 117.6925 58.3129 30.1154 177.5495 108 A 3.9359 7.9595 121.0121 54.3959 18.7601 178.2383 109 W 4.5582 8.1637 116.8570 55.8313 29.9836 177.4675 110 V 3.7201 8.6684 124.3162 66.0428 31.0950 177.6754 111 A 4.0223 8.2364 120.1240 54.8008 18.2511 179.2679 112 W 3.9983 8.4077 126.7711 60.5518 30.7059 178.3018 113 R 3.7557 8.0431 114.6492 59.1911 28.9328 178.1043 114 N 4.3949 7.9273 116.0325 54.6547 38.8594 176.6161 115 R 4.0521 7.9617 117.1130 55.6516 31.7584 175.5663 116 C 4.4735 7.5654 114.6586 58.0910 42.2959 174.0853 117 Q 3.3647 6.2466 117.8869 57.6195 28.4936 176.5167 118 N 4.2080 8.6494 119.9246 53.7119 36.5528 173.9345 119 R 4.5220 7.3231 116.7941 53.8138 32.5794 175.3177 120 D 4.4788 8.4938 119.4538 54.7096 41.3843 176.2078 121 V 4.7681 8.3125 118.8902 61.1884 32.8215 177.8858 122 R 4.0295 8.7225 123.3920 59.1800 29.5095 178.7029 123 Q 3.9769 8.1480 117.3011 59.6046 28.1755 178.0625 124 Y 4.4194 7.6142 117.0008 59.4219 38.0721 176.7894 125 V 4.4815 7.9132 117.2642 60.5509 33.0207 175.4840 126 Q 4.0018 7.6510 119.9379 57.6618 28.6871 176.7879 127 G 3.9436 9.0159 110.7091 45.9382 0.0000 174.3496 128 C 4.4698 7.9393 116.0316 56.2992 40.7324 173.8010 129 G 3.8685 8.0535 107.2311 46.9779 0.0000 174.1783 130 V 4.0118 7.9061 117.6684 61.0972 32.0881 175.9857 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 K 8.17 4.17 0.00 1.82 1.63 0.00 1.25 0.00 0.00 0.88 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.93 1.14 7.81 2 V 8.15 4.62 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 0.92 0.00 0.00 0.95 0.00 0.00 3 F 9.23 4.37 0.00 2.86 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 4 E 9.35 4.18 0.00 2.23 1.81 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 2.29 2.32 0.00 5 R 9.02 3.41 0.00 2.01 1.94 0.00 3.32 0.00 0.00 3.45 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 6 C 8.06 4.39 0.00 3.01 3.12 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 E 8.10 3.90 0.00 2.07 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 0.00 2.61 2.42 0.00 8 L 8.06 3.64 0.00 1.41 1.42 0.10 0.47 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 A 7.80 3.96 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 10 R 8.02 3.91 0.00 1.90 2.00 0.00 3.14 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 11 T 7.70 3.88 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 1.18 0.00 0.00 12 L 8.26 3.91 0.00 1.76 1.67 0.99 0.70 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 13 K 8.17 3.94 0.00 1.91 1.95 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 14 R 7.84 3.92 0.00 1.86 2.22 0.00 3.30 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 15 L 7.48 4.43 0.00 1.69 1.55 0.86 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.97 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 0.00 0.00 0.00 17 M 7.91 3.93 0.00 1.56 2.06 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.25 0.00 18 D 8.00 4.65 0.00 2.68 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 19 G 9.47 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 20 Y 8.18 4.23 0.00 3.22 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 21 R 9.10 3.60 0.00 1.78 1.80 0.00 3.20 0.00 0.00 2.96 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.87 0.00 22 G 8.46 3.91 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 0.00 0.00 0.00 23 I 7.62 4.10 1.91 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.56 -0.20 0.00 0.00 24 S 8.28 4.62 0.00 4.04 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 25 L 8.88 4.20 0.00 2.09 1.81 0.97 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.14 4.13 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 27 N 7.96 4.40 0.00 2.68 2.60 0.00 0.00 6.91 7.28 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 28 W 7.82 4.31 0.00 3.52 3.12 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 29 M 8.46 4.22 0.00 2.22 2.39 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.96 0.00 30 C 8.14 3.26 0.00 2.49 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 31 L 8.12 4.09 0.00 1.82 1.90 0.43 0.25 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 32 A 8.28 4.21 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 33 K 8.19 2.99 0.00 1.76 1.81 0.00 0.79 0.00 0.00 0.61 0.00 0.00 2.85 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.34 0.73 7.81 34 W 7.76 4.21 0.00 3.39 3.31 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 35 E 8.24 4.43 0.00 2.11 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 2.53 2.36 0.00 36 S 8.24 4.49 0.00 4.09 4.14 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 37 G 8.16 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 38 Y 7.77 3.78 0.00 3.25 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 N 7.67 5.35 0.00 2.72 2.78 0.00 0.00 6.99 7.20 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 40 T 8.84 4.09 4.42 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 1.49 0.00 0.00 41 R 8.26 4.37 0.00 1.98 2.03 0.00 3.18 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 42 A 7.65 4.42 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 T 8.17 5.32 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 1.28 0.00 0.00 44 N 8.31 4.86 0.00 2.88 2.73 0.00 0.00 6.60 7.56 0.00 0.00 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 Y 8.76 4.87 0.00 2.92 2.86 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 46 N 8.48 4.54 0.00 2.60 2.58 0.00 0.00 6.61 7.72 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 47 A 8.37 3.54 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 48 G 7.52 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 0.00 0.00 0.00 49 D 7.77 4.70 0.00 2.74 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 50 R 7.54 3.76 0.00 2.00 2.13 0.00 3.21 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 51 S 7.22 4.95 0.00 3.90 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 52 T 8.95 5.12 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 0.54 0.00 0.00 53 D 9.00 5.45 0.00 2.72 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 54 Y 9.13 4.87 0.00 3.02 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 55 G 8.85 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 0.00 0.00 0.00 0.00 56 I 8.17 4.10 1.65 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.19 -0.25 0.00 0.00 57 F 7.87 4.71 0.00 3.12 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 58 Q 7.89 3.70 0.00 2.61 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.78 0.00 0.00 0.00 0.00 0.00 2.53 2.86 0.00 59 I 8.29 4.53 2.13 0.00 0.00 1.00 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 1.10 1.14 0.00 0.00 60 N 9.23 5.35 0.00 3.00 3.03 0.00 0.00 6.98 7.40 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 61 S 9.01 4.91 0.00 4.09 4.47 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 62 R 8.81 3.83 0.00 1.59 1.77 0.00 2.64 0.00 0.00 2.69 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 63 Y 7.60 4.12 0.00 1.43 1.95 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 64 W 8.08 4.88 0.00 3.52 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 65 C 8.28 5.62 0.00 3.15 3.24 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 0.00 0.00 0.00 0.00 66 N 9.10 5.00 0.00 2.83 2.71 0.00 0.00 7.08 8.06 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 67 D 8.79 4.83 0.00 2.81 2.61 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 68 G 8.66 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 69 K 8.69 4.61 0.00 1.84 1.85 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.46 7.81 70 T 7.80 4.56 4.24 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 0.00 0.00 0.00 1.22 0.00 0.00 71 P 0.00 4.25 0.00 2.14 2.05 0.00 4.00 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 1.95 1.96 0.00 72 G 8.85 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 73 A 7.33 4.15 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 74 V 8.22 3.91 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 0.71 0.00 0.00 0.90 0.00 0.00 75 N 8.04 4.24 0.00 2.96 2.75 0.00 0.00 7.11 8.41 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 76 A 8.31 4.03 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 77 C 8.52 4.58 0.00 3.36 3.23 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 78 H 7.81 4.12 0.00 3.31 3.37 0.00 5.79 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.13 4.84 0.00 1.71 1.51 0.95 0.78 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 80 S 8.37 4.79 0.00 3.83 3.69 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 81 C 8.68 4.07 0.00 2.26 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 82 S 7.76 3.85 0.00 3.99 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 83 A 8.06 4.20 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 84 L 7.76 4.55 0.00 1.94 1.80 1.05 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.58 5.60 0.00 1.73 1.70 1.12 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.79 4.46 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.52 7.09 0.00 0.00 0.00 0.00 0.00 2.59 2.33 0.00 87 D 8.57 4.37 0.00 2.65 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 88 N 8.04 4.65 0.00 2.70 2.76 0.00 0.00 6.95 7.94 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 89 I 8.42 4.32 1.82 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 1.58 0.41 1.00 0.00 0.00 90 A 7.90 3.94 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 91 D 8.10 4.31 0.00 2.72 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 92 A 7.96 4.07 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 93 V 8.16 3.36 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 0.71 0.00 0.00 0.92 0.00 0.00 94 A 7.90 3.84 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 95 C 8.17 4.22 0.00 3.13 3.24 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 0.00 0.00 0.00 0.00 96 L 7.70 3.59 0.00 1.39 1.25 0.42 -1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.33 3.62 0.00 1.64 1.51 0.00 1.36 0.00 0.00 1.14 0.00 0.00 2.23 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.30 0.84 7.81 98 R 7.31 4.05 0.00 2.07 2.02 0.00 3.25 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.79 0.00 99 V 7.40 2.00 1.86 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 0.24 0.00 0.00 -0.28 0.00 0.00 100 V 7.73 3.98 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 1.15 0.00 0.00 1.23 0.00 0.00 101 R 7.58 4.14 0.00 2.06 1.99 0.00 3.31 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 102 D 7.17 4.73 0.00 3.11 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 0.00 103 P 0.00 4.23 0.00 2.02 2.13 0.00 3.68 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 2.03 2.10 0.00 104 Q 8.22 4.01 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.83 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 105 G 7.88 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 0.00 106 I 8.05 3.91 1.12 0.00 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.64 -0.62 0.00 0.00 107 R 7.48 4.30 0.00 2.11 2.06 0.00 3.31 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.77 0.00 108 A 7.96 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.16 4.56 0.00 3.58 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 0.00 110 V 8.67 3.72 2.17 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 1.12 0.00 0.00 0.98 0.00 0.00 111 A 8.24 4.02 1.57 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 0.00 0.00 112 W 8.41 4.00 0.00 3.49 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.04 3.76 0.00 2.11 2.27 0.00 3.18 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.66 0.00 114 N 7.93 4.39 0.00 2.63 2.73 0.00 0.00 6.89 7.13 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 0.00 115 R 7.96 4.05 0.00 0.85 0.66 0.00 2.28 0.00 0.00 2.64 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.50 0.00 116 C 7.57 4.47 0.00 1.46 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 0.00 117 Q 6.25 3.36 0.00 0.93 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.16 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 118 N 8.65 4.21 0.00 2.79 2.86 0.00 0.00 6.95 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 0.00 119 R 7.32 4.52 0.00 1.85 1.79 0.00 2.97 0.00 0.00 3.04 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 120 D 8.49 4.48 0.00 2.64 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 0.00 121 V 8.31 4.77 2.34 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 0.91 0.00 0.00 1.01 0.00 0.00 122 R 8.72 4.03 0.00 1.99 2.01 0.00 3.16 0.00 0.00 3.66 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 123 Q 8.15 3.98 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.93 0.00 0.00 0.00 0.00 0.00 2.13 1.58 0.00 124 Y 7.61 4.42 0.00 3.18 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 0.00 125 V 7.91 4.48 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 0.92 0.00 0.00 0.99 0.00 0.00 126 Q 7.65 4.00 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.82 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 127 G 9.02 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 0.00 128 C 7.94 4.47 0.00 3.02 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 0.00 129 G 8.05 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 130 V 7.91 4.01 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 0.75 0.00 0.00 0.96 0.00 0.00