NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2881 8.1227 123.5793 51.5972 20.2112 177.4010 2 I 3.4797 8.0157 119.1031 62.5470 37.9679 175.5867 3 T 5.1838 8.4988 108.0663 61.9286 69.6819 174.1704 4 D 4.6716 7.9637 121.6272 55.4815 41.3634 177.0581 5 I 4.4915 7.7258 117.6300 61.1989 40.0696 175.6441 6 L 4.8630 8.0046 119.2108 52.0784 44.7826 175.8302 7 S 4.4315 8.5529 116.6132 58.0273 64.0448 175.0605 8 A 4.0195 8.7490 130.3569 55.1859 18.0820 179.8956 9 K 3.8936 8.0059 117.8773 59.8429 32.2483 178.8584 10 D 4.3481 8.0577 118.7069 57.2809 40.6831 178.6232 11 I 3.6256 7.9988 120.4844 64.2996 37.1550 177.8105 12 E 3.9386 8.3129 120.1252 59.6535 29.4392 179.1532 13 S 4.0955 8.0543 114.6873 61.6051 62.4070 176.6303 14 A 3.9105 8.1806 123.6709 55.0173 17.7711 179.7378 15 L 4.1959 8.0225 117.0512 57.9733 42.0973 179.4886 16 S 4.4147 8.1790 115.3101 61.6675 62.5394 176.5607 17 S 4.2009 8.0527 115.1258 60.2972 62.1819 174.3838 18 C 5.2844 7.7833 114.2815 56.8229 29.8616 175.3145 19 Q 4.0844 8.0277 120.8897 59.8227 28.8867 176.6882 20 A 4.1033 7.8481 121.2085 51.1200 19.1442 176.3310 21 A 4.1258 8.6046 124.0567 54.2487 18.6800 177.1091 22 D 4.5993 8.7768 120.7778 55.3570 38.8745 174.7702 23 S 4.4692 7.8379 112.9754 58.5643 63.8815 173.9014 24 F 4.3183 8.2488 124.9081 58.2656 39.7825 174.5437 25 N 4.3833 7.2263 124.6833 50.2440 40.6836 175.1044 26 Y 3.1865 7.8321 123.4110 59.5339 38.0364 178.8083 27 K 3.8522 6.6587 119.6435 59.3908 32.2240 179.2303 28 S 3.9936 7.9645 115.2753 61.3806 62.6220 176.5428 29 F 3.8563 7.7470 123.1269 61.4408 39.2937 177.2315 30 F 4.6110 8.6908 117.7194 60.5587 38.2572 177.6076 31 S 4.0844 8.0869 112.6545 61.8571 62.0552 176.4139 32 T 3.8267 7.6774 117.3573 66.4863 68.3147 176.8375 33 V 3.6445 7.4984 119.6064 62.9001 31.5695 177.1803 34 G 3.9950 7.5974 107.1521 45.1418 0.0000 174.1438 35 L 4.2286 8.1330 122.9402 57.3942 42.3527 179.1351 36 S 4.3113 8.2359 112.5116 60.5130 63.0056 174.8157 37 S 4.5992 7.9572 113.6230 57.8452 63.0686 173.9885 38 K 4.4800 7.7371 120.9747 55.9064 33.1619 177.0166 39 T 4.3315 8.6713 111.7375 60.5356 71.0846 173.9418 40 P 4.5598 0.0000 0.0000 65.3310 31.2924 178.7481 41 D 4.3512 8.0099 117.0333 57.4750 40.9611 178.6441 42 Q 4.0772 7.9782 118.1767 59.0576 28.6458 178.9445 43 I 3.9287 8.2417 121.3335 64.2477 37.1341 178.4274 44 K 4.0906 8.3827 120.7123 59.1970 31.4372 179.1441 45 K 4.0250 8.1729 119.1433 59.3960 32.0013 179.4551 46 V 3.6191 7.8486 118.1085 65.8217 31.3997 177.6275 47 F 3.6142 8.6105 120.7349 61.3190 38.9414 177.3869 48 G 3.5944 8.0535 103.8534 47.8461 0.0000 175.4306 49 I 3.8009 7.0462 120.4082 64.1158 37.1731 178.1776 50 L 3.9821 7.3727 118.9924 56.7748 42.8961 178.3177 51 D 4.5418 7.5612 119.7986 53.0676 37.9109 176.3715 52 Q 3.9012 7.9218 121.9850 58.1691 29.4038 177.2654 53 D 4.6519 8.4632 114.8435 52.1837 39.6555 176.1955 54 K 3.9735 7.6489 117.7366 57.8903 30.0002 176.3320 55 S 4.3410 8.2119 112.9742 59.1107 63.6890 175.1744 56 G 3.9253 9.3476 109.7471 44.8725 0.0000 173.1150 57 F 5.2371 7.6622 116.1474 55.8044 43.5609 174.9712 58 I 4.2617 9.1676 123.1693 60.4253 37.7432 175.7364 59 E 4.5279 8.8080 127.1217 55.3936 30.9628 177.8914 60 E 3.8673 9.0474 121.3045 59.8802 29.1713 178.8506 61 E 3.9914 8.1518 116.7090 59.5838 29.3200 178.7334 62 E 3.9808 8.0055 118.1871 58.8385 29.9397 178.4336 63 L 4.1384 7.9950 120.5678 57.8776 42.0426 178.7060 64 Q 4.0856 8.1112 119.7984 58.3558 29.0160 176.7617 65 L 4.7047 7.3630 118.8706 54.5392 41.5140 177.9838 66 F 4.1973 7.8624 123.1264 61.9581 39.1790 177.5142 67 L 4.0580 7.9992 117.4872 57.5187 41.4305 179.3364 68 K 4.3224 8.0375 117.7502 58.8627 31.7147 178.6597 69 N 4.2300 7.6673 115.6332 55.1155 38.4070 175.8329 70 F 4.4539 8.0116 118.4737 58.9836 40.1964 176.5914 71 S 4.5758 7.6181 111.7551 57.0349 65.4026 175.2216 72 S 4.3139 8.8069 122.7379 60.4228 62.9690 175.0354 73 S 4.3221 7.9612 114.2249 59.1141 63.5334 174.2772 74 A 4.2064 7.7941 124.8342 52.0501 18.6714 177.3700 75 R 4.2534 8.2166 116.1745 55.5441 30.5061 176.9207 76 V 4.0143 7.9869 119.0531 61.6179 32.2996 175.8891 77 L 4.4468 8.4425 123.3162 54.7696 42.5162 177.0778 78 T 4.1484 9.1709 113.1187 61.4729 70.1920 175.7003 79 S 4.1005 8.9267 117.4179 61.8741 62.7988 176.8481 80 A 4.0145 7.9965 122.6619 55.3092 18.0619 179.4004 81 E 4.0011 8.2159 117.0198 59.9353 29.5104 179.7636 82 T 3.9332 8.0886 115.8383 66.3730 68.4657 176.7601 83 K 3.9479 8.3669 121.5543 59.4431 32.2840 178.8577 84 A 4.0782 8.2120 121.1552 54.9470 18.3115 179.3579 85 F 4.5202 8.6439 119.5649 61.5665 39.5409 177.1320 86 L 3.7991 8.2177 119.7722 58.1437 41.6893 178.7357 87 A 4.1158 8.0220 119.3198 55.0804 18.3349 179.2005 88 A 4.2495 8.1459 118.7680 55.1555 18.5787 179.6123 89 G 3.8084 7.7452 102.9596 46.4948 0.0000 174.8363 90 D 4.6808 8.2779 121.5362 53.8198 39.1519 175.5865 91 T 4.1989 8.1846 112.9289 62.2188 69.9083 176.0035 92 D 4.6973 8.1741 120.2009 52.3738 39.7223 176.3629 93 G 3.8862 7.7289 106.6783 47.1393 0.0000 174.3157 94 D 4.4740 8.1061 116.1659 52.6220 39.8557 177.1579 95 G 3.8641 9.8284 108.5377 45.4264 0.0000 172.6970 96 K 4.6354 8.3080 117.7931 55.6654 36.5122 175.0838 97 I 4.7289 8.8690 120.7892 59.7820 39.6739 176.5726 98 G 4.1353 9.1842 115.2990 45.0729 0.0000 174.7978 99 V 2.5776 7.8538 112.0504 64.2942 31.3513 178.8265 100 E 3.9350 7.9239 117.6097 59.3366 29.3513 179.1117 101 E 4.0437 8.1431 118.3478 59.1438 29.5713 179.0051 102 F 4.2759 8.5600 121.0413 61.3310 39.3840 176.7714 103 Q 3.8194 8.2908 119.3391 59.4706 28.5220 178.8113 104 S 4.1243 7.8528 114.7894 61.4604 63.2532 176.2902 105 L 4.1679 7.8058 121.6611 57.9553 41.1913 179.7431 106 V 2.9287 7.1863 116.5803 65.2409 31.3899 177.2146 107 K 4.3676 7.4970 114.4847 56.2854 32.2423 177.0964 108 A 4.3670 7.7904 127.1287 52.4656 18.5651 177.4193 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 A 8.12 4.29 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 2 I 8.02 3.48 1.79 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.22 0.90 0.00 0.00 3 T 8.50 5.18 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 1.24 0.00 0.00 4 D 7.96 4.67 0.00 2.88 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 5 I 7.73 4.49 1.94 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 1.45 0.93 0.99 0.00 0.00 6 L 8.00 4.86 0.00 1.80 1.62 1.32 0.78 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 7 S 8.55 4.43 0.00 3.90 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 8 A 8.75 4.02 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 9 K 8.01 3.89 0.00 1.93 1.82 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.52 7.81 10 D 8.06 4.35 0.00 2.86 2.81 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 0.00 0.00 0.00 11 I 8.00 3.63 2.12 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.83 1.09 0.00 0.00 12 E 8.31 3.94 0.00 2.05 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 0.00 2.32 2.38 0.00 13 S 8.05 4.10 0.00 4.02 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 0.00 14 A 8.18 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.02 4.20 0.00 1.82 1.82 1.03 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.18 4.41 0.00 4.05 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 17 S 8.05 4.20 0.00 3.85 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 18 C 7.78 5.28 0.00 3.26 3.03 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 19 Q 8.03 4.08 0.00 2.25 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.49 2.32 0.00 20 A 7.85 4.10 1.29 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 0.00 0.00 21 A 8.60 4.13 1.27 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 22 D 8.78 4.60 0.00 2.81 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 23 S 7.84 4.47 0.00 4.00 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 0.00 24 F 8.25 4.32 0.00 2.97 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 25 N 7.23 4.38 0.00 2.55 2.56 0.00 0.00 6.01 7.57 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 26 Y 7.83 3.19 0.00 2.65 2.53 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 27 K 6.66 3.85 0.00 1.42 1.70 0.00 1.38 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 0.55 7.81 28 S 7.96 3.99 0.00 3.68 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 29 F 7.75 3.86 0.00 2.78 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 30 F 8.69 4.61 0.00 3.23 3.05 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 31 S 8.09 4.08 0.00 3.97 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 0.00 32 T 7.68 3.83 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 1.11 0.00 0.00 33 V 7.50 3.64 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 0.84 0.00 0.00 0.75 0.00 0.00 34 G 7.60 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 35 L 8.13 4.23 0.00 2.02 1.85 1.07 1.03 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 36 S 8.24 4.31 0.00 4.05 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 37 S 7.96 4.60 0.00 4.00 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 38 K 7.74 4.48 0.00 1.92 1.90 0.00 1.95 0.00 0.00 1.76 0.00 0.00 3.27 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.65 1.57 7.81 39 T 8.67 4.33 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 1.27 0.00 0.00 40 P 0.00 4.56 0.00 2.17 2.14 0.00 3.87 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 2.11 2.04 0.00 41 D 8.01 4.35 0.00 2.69 2.72 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 42 Q 7.98 4.08 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 43 I 8.24 3.93 2.15 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.69 1.05 0.00 0.00 44 K 8.38 4.09 0.00 2.01 1.95 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.54 7.81 45 K 8.17 4.02 0.00 2.07 1.87 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.64 1.61 7.81 46 V 7.85 3.62 2.52 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 1.26 0.00 0.00 1.13 0.00 0.00 47 F 8.61 3.61 0.00 3.18 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 48 G 8.05 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 49 I 7.05 3.80 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.68 0.72 0.00 0.00 50 L 7.37 3.98 0.00 1.25 1.50 0.94 0.55 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 51 D 7.56 4.54 0.00 2.09 2.41 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 0.00 52 Q 7.92 3.90 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 53 D 8.46 4.65 0.00 2.74 2.73 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 0.00 0.00 0.00 54 K 7.65 3.97 0.00 1.91 1.91 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.32 7.81 55 S 8.21 4.34 0.00 4.04 4.19 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 56 G 9.35 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 0.00 0.00 0.00 57 F 7.66 5.24 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 58 I 9.17 4.26 1.81 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 -0.05 0.80 0.00 0.00 59 E 8.81 4.53 0.00 1.97 1.85 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 2.31 2.28 0.00 60 E 9.05 3.87 0.00 1.97 1.94 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 2.37 2.33 0.00 61 E 8.15 3.99 0.00 2.18 2.18 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 2.34 2.33 0.00 62 E 8.01 3.98 0.00 2.07 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 2.26 2.32 0.00 63 L 7.99 4.14 0.00 1.80 1.71 0.35 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 8.11 4.09 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 65 L 7.36 4.70 0.00 1.83 1.64 0.90 0.82 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 66 F 7.86 4.20 0.00 3.30 2.99 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 67 L 8.00 4.06 0.00 1.92 1.77 1.01 0.87 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 68 K 8.04 4.32 0.00 1.98 1.85 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.50 7.81 69 N 7.67 4.23 0.00 2.18 2.43 0.00 0.00 6.93 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 70 F 8.01 4.45 0.00 3.23 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 71 S 7.62 4.58 0.00 3.97 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 72 S 8.81 4.31 0.00 4.02 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 73 S 7.96 4.32 0.00 4.02 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 0.00 74 A 7.79 4.21 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 75 R 8.22 4.25 0.00 1.95 1.97 0.00 3.06 0.00 0.00 3.39 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 76 V 7.99 4.01 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 0.72 0.00 0.00 0.99 0.00 0.00 77 L 8.44 4.45 0.00 1.50 1.54 0.51 0.35 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 78 T 9.17 4.15 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 1.22 0.00 0.00 79 S 8.93 4.10 0.00 3.89 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 80 A 8.00 4.01 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 81 E 8.22 4.00 0.00 2.25 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 2.41 2.54 0.00 82 T 8.09 3.93 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 1.21 0.00 0.00 83 K 8.37 3.95 0.00 1.92 1.98 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 84 A 8.21 4.08 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 85 F 8.64 4.52 0.00 3.19 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 86 L 8.22 3.80 0.00 1.82 1.71 0.86 0.91 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 87 A 8.02 4.12 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 88 A 8.15 4.25 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 89 G 7.75 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.28 4.68 0.00 2.64 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 91 T 8.18 4.20 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 1.23 0.00 0.00 92 D 8.17 4.70 0.00 2.82 2.81 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 0.00 0.00 0.00 93 G 7.73 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 0.00 0.00 0.00 94 D 8.11 4.47 0.00 2.68 2.70 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 0.00 0.00 0.00 0.00 95 G 9.83 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 0.00 0.00 0.00 0.00 96 K 8.31 4.64 0.00 1.85 1.72 0.00 1.01 0.00 0.00 1.50 0.00 0.00 2.32 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.34 1.21 7.81 97 I 8.87 4.73 1.92 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.91 1.13 0.00 0.00 98 G 9.18 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 0.00 0.00 0.00 99 V 7.85 2.58 1.59 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 -0.07 0.00 0.00 0.68 0.00 0.00 100 E 7.92 3.94 0.00 1.96 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 2.33 2.31 0.00 101 E 8.14 4.04 0.00 2.25 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 0.00 2.48 2.41 0.00 102 F 8.56 4.28 0.00 3.45 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 0.00 103 Q 8.29 3.82 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 104 S 7.85 4.12 0.00 4.07 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 0.00 105 L 7.81 4.17 0.00 1.79 1.82 0.93 0.26 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 V 7.19 2.93 1.78 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 0.55 0.00 0.00 -0.42 0.00 0.00 107 K 7.50 4.37 0.00 1.78 1.81 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.55 7.81 108 A 7.79 4.37 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00