NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2867 8.1233 123.5787 51.7639 19.8575 176.5902 3 R 5.0265 8.1587 118.6471 55.5914 29.0321 176.3070 4 I 4.4633 7.8758 130.3554 60.8725 37.2432 177.4876 5 A 3.7870 8.6606 132.1714 51.0819 19.6050 176.6784 6 G 4.2770 8.1208 111.3335 45.9651 0.0000 174.0556 7 V 3.3358 8.1975 123.1415 62.4983 28.9686 172.4853 8 E 4.8636 8.4544 118.0987 55.0837 32.3082 176.3461 9 I 5.1236 8.0096 112.2476 60.5785 38.3556 170.2067 10 P 4.4030 0.0000 0.0000 61.9738 32.7025 176.0592 11 R 4.4437 7.7318 121.4301 55.7321 33.0348 172.9016 12 N 4.2298 9.0266 117.4148 53.8621 37.1076 174.3502 13 K 4.3926 8.2958 114.2637 55.0782 36.3289 176.4848 14 R 3.6902 8.0518 121.2406 53.9728 30.0431 176.5096 15 V 3.4672 8.7541 124.3898 67.0445 31.3934 177.4424 16 D 4.2108 7.6024 116.8200 56.9147 39.3586 178.7511 17 V 3.6521 9.5016 120.0723 66.2951 31.5394 178.1049 18 A 3.3303 8.7154 115.3755 55.0774 18.3053 179.5145 19 L 3.8619 8.0289 116.5815 57.4268 42.0824 179.7501 20 T 4.3681 7.9066 114.7857 66.2651 68.4861 175.0152 21 Y 4.1168 9.7964 117.3514 60.0477 38.3389 176.8884 22 I 5.1178 7.9380 121.4169 60.0361 37.9672 176.2188 23 Y 4.2815 9.0774 124.6931 59.4033 38.5662 176.7843 24 G 3.9188 7.8488 105.1680 45.3888 0.0000 172.2085 25 I 4.1817 7.9219 121.3305 58.9199 39.4723 174.9386 26 G 4.2643 7.3883 113.0507 44.0882 0.0000 175.3714 27 K 4.6021 7.8997 120.8684 58.8029 33.1553 176.8654 28 A 3.6580 8.0288 117.8674 55.5029 18.3738 179.7178 29 R 3.7850 8.5068 114.7200 58.3871 30.8805 177.6794 30 A 3.9291 7.4188 118.9977 55.8014 18.4267 179.7618 31 K 3.9521 8.1719 115.5721 59.5644 32.2153 179.2918 32 E 4.1159 8.8232 119.9067 58.8107 29.4544 178.8200 33 A 4.6079 8.2044 120.5702 55.4385 18.8924 179.2858 34 L 3.7823 8.1965 116.4057 56.6184 41.1042 179.2534 35 E 3.9707 7.9761 119.8768 59.1573 29.5534 178.5988 36 K 3.9136 7.7339 116.8260 59.3969 32.2409 178.1511 37 T 4.0376 8.8261 114.1060 63.0556 68.9822 174.8258 38 G 4.0389 7.2579 109.1315 46.7157 0.0000 173.1559 39 I 4.5285 7.8698 116.9020 59.2913 41.5337 175.9517 40 N 4.5889 8.5669 122.1811 52.1855 38.2792 173.5487 41 P 4.2612 0.0000 0.0000 65.7524 31.6242 178.6560 42 A 4.1885 8.0796 119.6858 54.9552 18.6454 178.0070 43 T 4.0776 8.2925 106.9741 61.4487 69.2642 174.6254 44 R 4.3407 8.3033 122.9001 55.8427 31.2857 177.7537 45 V 3.6210 8.5289 120.6455 66.0873 31.7531 178.2930 46 K 3.8837 8.2124 116.9792 60.1572 32.1124 177.7787 47 D 4.4357 7.5760 116.4723 55.6934 40.8603 176.6380 48 L 4.0910 7.4233 119.1911 55.5020 42.4082 176.8849 49 T 4.5653 8.0911 116.2139 62.2350 70.7890 175.9516 50 E 3.7688 8.4685 126.4189 59.2067 30.2167 178.8761 51 A 3.9583 8.0460 120.4572 55.1223 18.5082 178.8249 52 E 3.8897 8.3696 115.9325 60.8030 29.6356 179.6305 53 V 3.3120 8.3684 116.2391 66.6101 31.5765 177.9601 54 V 3.5888 8.1462 117.2330 65.9647 31.5420 178.3803 55 R 4.1736 8.1367 118.1152 60.1121 29.9021 178.0772 56 L 4.0589 8.3935 118.0708 57.8346 41.0429 179.7550 57 R 4.0240 8.3146 117.9330 60.2156 30.4297 177.9249 58 E 4.0674 9.2825 119.6931 59.1732 29.1724 178.3627 59 Y 4.2413 8.3661 120.9486 60.1831 39.0021 178.7821 60 V 2.9604 9.0546 116.9068 65.4938 31.0482 177.7494 61 E 3.9584 5.9000 117.6685 58.2871 31.4597 177.4022 62 N 4.6831 8.4688 118.1338 49.3368 36.3950 174.8514 63 T 4.7021 6.6709 128.2232 62.4891 66.7879 172.3713 64 W 4.8709 6.7601 119.4569 54.2434 31.3217 175.4808 65 K 4.2159 8.7879 124.5314 56.3599 32.5311 175.7695 66 L 4.8742 8.1429 126.2755 55.9715 46.1284 176.8692 67 E 4.1198 8.6710 116.2626 56.3266 30.6193 177.9229 68 G 3.8838 8.7726 115.5369 49.4149 0.0000 173.9974 69 E 4.2471 8.3835 121.7718 59.0824 29.4669 178.1350 70 L 4.1440 8.7212 121.1877 57.3798 42.2613 178.5350 71 R 3.9348 8.7598 117.4712 60.5714 30.0380 178.5599 72 A 3.6941 9.1217 117.5975 55.9665 18.7406 178.8360 73 E 3.5283 9.1584 113.6436 59.8936 29.7897 180.0992 74 V 3.2926 8.2755 115.0951 65.9894 32.2176 178.0188 75 A 3.9500 8.5856 119.9202 55.4477 18.2421 179.6071 76 A 3.8665 8.3885 119.2258 55.4920 18.5686 179.0732 77 N 4.1517 8.0884 114.9008 57.3801 38.4528 176.9703 78 I 3.3879 7.8463 118.2426 64.6547 37.6148 177.4764 79 K 4.0680 8.2588 119.6991 60.3322 32.2536 178.0453 80 R 4.0308 8.2371 119.1489 59.5750 29.9104 177.3886 81 L 4.3054 8.0674 115.1345 56.9538 40.2522 177.8935 82 M 4.1768 7.6028 119.6153 57.6554 32.9140 177.1854 83 D 4.5268 8.4167 118.6465 55.1715 41.8092 176.9560 84 I 4.1437 7.1251 112.5868 59.6599 38.7994 176.8442 85 G 3.6459 8.7090 109.8045 46.7909 0.0000 172.3906 86 C 3.8155 8.4998 121.4894 59.9867 31.6686 173.3263 87 Y 4.5809 9.0560 128.1516 61.3876 38.0119 177.9972 88 R 3.5881 8.3441 117.7025 59.4760 30.1591 178.1750 89 G 4.1031 8.9207 107.8154 47.2916 0.0000 175.1913 90 L 3.8777 7.8760 122.2309 57.9918 41.6223 179.7895 91 R 3.6075 7.6113 116.8306 59.9508 29.6646 178.6674 92 H 4.1374 8.1453 115.4694 58.7335 28.8023 177.6833 93 R 4.0187 7.7350 118.5328 59.3131 30.1326 178.4972 94 R 4.0880 8.4155 117.8570 57.8710 30.1894 178.1791 95 G 3.8468 8.1469 104.7019 45.3638 0.0000 173.1887 96 L 4.3759 7.2885 119.7862 52.2035 43.1847 174.2527 97 P 4.4619 0.0000 0.0000 63.2113 31.8286 175.9516 98 V 4.0712 8.1549 117.1218 64.0051 33.3828 176.2134 99 R 4.3838 7.3398 118.3957 56.2815 29.9993 177.3260 100 G 3.9076 8.3508 103.1903 46.0388 0.0000 174.1577 101 Q 4.3127 7.8373 118.8564 55.0926 29.9460 175.0464 102 R 4.5515 8.2510 115.0585 55.6298 30.8550 176.1752 103 T 4.5044 8.3919 109.7946 61.7009 69.0206 174.7762 104 R 4.4848 7.8244 120.5184 57.1867 31.3050 176.3151 105 T 4.1667 7.6286 107.8670 63.6379 71.2533 173.0856 106 N 4.2529 8.1265 116.6007 53.5651 36.8168 174.1709 107 A 4.6103 8.7320 122.7309 51.7593 21.2930 178.5929 108 R 3.8761 8.3451 119.9878 61.0607 29.8689 178.5078 109 T 3.8351 7.9671 110.7043 65.2936 67.1647 174.7831 110 R 4.2152 7.8213 118.2616 57.2372 30.3732 177.3289 111 K 4.3708 7.7356 116.4619 55.7979 33.8716 176.5162 112 G 4.0842 10.9680 101.9285 43.7910 0.0000 175.0148 113 P 4.8191 0.0000 0.0000 60.2395 32.9653 175.2583 114 R 4.1113 8.3355 119.7794 56.5251 30.6514 177.6085 115 K 4.4819 8.0919 121.4165 54.1703 31.6551 174.9981 116 T 3.9386 7.9730 117.2835 63.7789 69.5616 174.0608 117 V 4.5105 8.0784 126.0076 61.6793 34.0176 172.4299 118 A 4.9362 8.1149 121.7736 52.4819 22.7050 176.8322 119 G 4.1692 7.6802 111.6278 46.1374 0.0000 176.5860 120 K 4.5427 8.7689 123.6281 54.8608 34.9925 174.8613 121 K 4.0537 8.6777 126.1304 58.7534 32.6146 177.6851 122 K 4.0188 7.9093 124.3757 58.1390 31.6227 176.4799 123 A 5.3149 8.9432 135.0000 57.5101 19.5156 178.4257 124 P 3.9640 0.0000 0.0000 63.4010 27.7886 176.9691 125 R 4.2768 7.8491 111.8683 56.2058 30.1577 177.8813 126 K 4.0476 7.5334 123.7467 57.2964 32.0186 176.4637 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 2 A 8.12 4.29 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 3 R 8.16 5.03 0.00 1.90 1.93 0.00 3.25 0.00 0.00 3.89 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 4 I 7.88 4.46 1.91 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 0.77 0.96 0.00 0.00 5 A 8.66 3.79 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 6 G 8.12 4.28 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 0.00 7 V 8.20 3.34 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 0.94 0.00 0.00 8 E 8.45 4.86 0.00 2.10 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 0.00 2.52 2.41 0.00 9 I 8.01 5.12 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.25 0.94 0.00 0.00 10 P 0.00 4.40 0.00 1.95 1.99 0.00 3.99 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.93 0.00 11 R 7.73 4.44 0.00 1.67 1.71 0.00 3.34 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 12 N 9.03 4.23 0.00 2.85 2.84 0.00 0.00 6.83 6.68 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 13 K 8.30 4.39 0.00 1.63 1.64 0.00 1.84 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.42 7.81 14 R 8.05 3.69 0.00 1.90 2.16 0.00 3.18 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.77 0.00 15 V 8.75 3.47 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 1.08 0.00 0.00 0.99 0.00 0.00 16 D 7.60 4.21 0.00 3.02 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 17 V 9.50 3.65 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 1.33 0.00 0.00 0.98 0.00 0.00 18 A 8.72 3.33 1.25 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 0.00 0.00 19 L 8.03 3.86 0.00 1.90 1.78 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.91 4.37 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 1.18 0.00 0.00 21 Y 9.80 4.12 0.00 2.97 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 22 I 7.94 5.12 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.22 1.00 0.00 0.00 23 Y 9.08 4.28 0.00 3.04 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 24 G 7.85 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 0.00 0.00 0.00 25 I 7.92 4.18 1.99 0.00 0.00 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 0.71 0.89 0.75 0.00 0.00 26 G 7.39 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 27 K 7.90 4.60 0.00 1.75 1.85 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.42 7.81 28 A 8.03 3.66 1.17 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 0.00 0.00 29 R 8.51 3.79 0.00 1.25 0.66 0.00 2.51 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.33 0.00 30 A 7.42 3.93 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 31 K 8.17 3.95 0.00 2.00 1.92 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.64 7.81 32 E 8.82 4.12 0.00 2.15 2.44 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 2.67 2.51 0.00 33 A 8.20 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.20 3.78 0.00 1.78 1.96 1.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.98 3.97 0.00 2.46 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 2.33 2.39 0.00 36 K 7.73 3.91 0.00 1.39 1.36 0.00 1.15 0.00 0.00 1.21 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.58 7.81 37 T 8.83 4.04 4.29 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 1.26 0.00 0.00 38 G 7.26 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 0.00 0.00 0.00 39 I 7.87 4.53 1.90 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 1.20 0.77 0.93 0.00 0.00 40 N 8.57 4.59 0.00 2.76 2.73 0.00 0.00 7.05 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 41 P 0.00 4.26 0.00 2.22 2.20 0.00 3.68 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 42 A 8.08 4.19 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 43 T 8.29 4.08 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 1.25 0.00 0.00 44 R 8.30 4.34 0.00 2.07 1.88 0.00 3.22 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 45 V 8.53 3.62 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 1.05 0.00 0.00 0.96 0.00 0.00 46 K 8.21 3.88 0.00 1.89 1.93 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.47 7.81 47 D 7.58 4.44 0.00 2.88 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 48 L 7.42 4.09 0.00 1.80 1.65 0.97 0.70 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 49 T 8.09 4.57 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 1.25 0.00 0.00 50 E 8.47 3.77 0.00 2.09 1.93 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 2.38 2.50 0.00 51 A 8.05 3.96 1.32 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 52 E 8.37 3.89 0.00 2.15 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 0.00 2.42 2.40 0.00 53 V 8.37 3.31 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 1.00 0.00 0.00 1.01 0.00 0.00 54 V 8.15 3.59 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 1.00 0.00 0.00 0.98 0.00 0.00 55 R 8.14 4.17 0.00 2.14 2.03 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 56 L 8.39 4.06 0.00 2.03 1.73 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.31 4.02 0.00 1.93 2.10 0.00 3.12 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 2.04 0.00 58 E 9.28 4.07 0.00 2.13 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 2.58 2.48 0.00 59 Y 8.37 4.24 0.00 2.83 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 60 V 9.05 2.96 2.24 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 1.24 0.00 0.00 1.11 0.00 0.00 61 E 5.90 3.96 0.00 2.06 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 2.39 2.56 0.00 62 N 8.47 4.68 0.00 2.64 2.73 0.00 0.00 6.86 7.44 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 63 T 6.67 4.70 3.73 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 -0.69 0.00 0.00 64 W 6.76 4.87 0.00 3.44 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 65 K 8.79 4.22 0.00 1.77 1.79 0.00 1.75 0.00 0.00 1.92 0.00 0.00 3.20 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.84 7.81 66 L 8.14 4.87 0.00 1.78 1.63 1.05 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.67 4.12 0.00 2.15 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 2.45 2.60 0.00 68 G 8.77 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 0.00 0.00 0.00 69 E 8.38 4.25 0.00 2.07 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 2.42 2.42 0.00 70 L 8.72 4.14 0.00 2.28 2.17 0.72 1.18 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 71 R 8.76 3.93 0.00 1.86 1.84 0.00 2.97 0.00 0.00 2.82 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.25 0.00 72 A 9.12 3.69 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 73 E 9.16 3.53 0.00 2.16 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 0.00 2.34 2.38 0.00 74 V 8.28 3.29 2.27 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 0.98 0.00 0.00 1.03 0.00 0.00 75 A 8.59 3.95 1.41 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 0.00 0.00 76 A 8.39 3.87 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 77 N 8.09 4.15 0.00 2.91 2.90 0.00 0.00 7.05 6.94 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 78 I 7.85 3.39 2.00 0.00 0.00 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 1.40 0.57 0.64 0.00 0.00 79 K 8.26 4.07 0.00 1.96 1.96 0.00 1.64 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.63 7.81 80 R 8.24 4.03 0.00 1.90 2.01 0.00 3.14 0.00 0.00 3.37 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 81 L 8.07 4.31 0.00 1.93 1.88 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 82 M 7.60 4.18 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 83 D 8.42 4.53 0.00 2.74 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 84 I 7.13 4.14 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.93 0.92 0.00 0.00 85 G 8.71 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.50 3.82 0.00 2.94 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 87 Y 9.06 4.58 0.00 3.09 3.02 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 0.00 88 R 8.34 3.59 0.00 1.89 2.01 0.00 3.33 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 89 G 8.92 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.88 3.88 0.00 1.58 1.69 1.04 1.09 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 91 R 7.61 3.61 0.00 1.63 2.04 0.00 3.01 0.00 0.00 2.85 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.07 0.00 92 H 8.15 4.14 0.00 3.19 3.31 0.00 5.66 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 93 R 7.74 4.02 0.00 1.94 1.96 0.00 3.22 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 94 R 8.42 4.09 0.00 1.76 1.99 0.00 3.31 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 95 G 8.15 3.85 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 0.00 0.00 0.00 96 L 7.29 4.38 0.00 1.59 1.62 0.93 1.06 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 97 P 0.00 4.46 0.00 2.32 2.05 0.00 3.70 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 1.99 1.95 0.00 98 V 8.15 4.07 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 0.81 0.00 0.00 0.58 0.00 0.00 99 R 7.34 4.38 0.00 1.80 1.93 0.00 3.28 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 100 G 8.35 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 0.00 101 Q 7.84 4.31 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 102 R 8.25 4.55 0.00 1.91 1.92 0.00 3.00 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 103 T 8.39 4.50 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 0.00 104 R 7.82 4.48 0.00 1.79 1.97 0.00 3.28 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 105 T 7.63 4.17 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 1.21 0.00 0.00 106 N 8.13 4.25 0.00 2.75 2.81 0.00 0.00 6.47 7.35 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 0.00 107 A 8.73 4.61 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 0.00 108 R 8.35 3.88 0.00 1.82 2.19 0.00 3.32 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 109 T 7.97 3.84 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 1.20 0.00 0.00 110 R 7.82 4.22 0.00 1.82 2.03 0.00 3.31 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 111 K 7.74 4.37 0.00 1.74 1.82 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.67 7.81 112 G 10.97 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 0.00 0.00 0.00 113 P 0.00 4.82 0.00 2.04 1.97 0.00 3.68 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 1.95 2.08 0.00 114 R 8.34 4.11 0.00 1.80 1.86 0.00 3.16 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 115 K 8.09 4.48 0.00 1.71 1.73 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.57 7.81 116 T 7.97 3.94 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 1.21 0.00 0.00 117 V 8.08 4.51 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 0.82 0.00 0.00 0.98 0.00 0.00 118 A 8.11 4.94 1.24 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 0.00 0.00 119 G 7.68 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 0.00 0.00 0.00 120 K 8.77 4.54 0.00 1.67 1.63 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.46 7.81 121 K 8.68 4.05 0.00 1.76 1.83 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.47 7.81 122 K 7.91 4.02 0.00 1.69 1.77 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.49 7.81 123 A 8.94 5.31 1.32 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 0.00 124 P 0.00 3.96 0.00 2.23 2.11 0.00 3.59 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 2.09 2.12 0.00 125 R 7.85 4.28 0.00 1.90 2.03 0.00 3.10 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 126 K 7.53 4.05 0.00 1.76 1.79 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.40 7.81