NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3275 8.3001 120.3269 55.0905 32.1849 173.0576 2 A 4.2863 8.0865 123.5676 48.8033 19.5049 171.4081 3 E 4.5720 9.3337 122.3431 54.9873 32.2110 173.6255 4 Q 4.6476 8.6305 124.7739 54.0822 32.2250 175.0342 5 R 4.7209 8.3052 121.8865 54.3626 32.6238 174.8806 6 F 5.1547 8.8952 121.6841 55.9155 42.7346 173.9957 7 C 5.1219 9.7634 119.1866 58.1176 33.1998 172.9062 8 V 4.7867 8.4358 120.4742 61.3977 33.5635 174.0450 9 D 5.0134 9.2700 126.4176 53.0319 45.2071 173.1984 10 Y 4.8327 8.2690 119.1706 55.6238 40.4066 175.7917 11 A 3.9006 8.6954 125.8910 52.5103 19.1326 176.3804 12 K 4.3433 8.4888 121.7716 57.1660 34.1739 176.2199 13 R 4.4273 7.7842 116.1882 56.0442 32.9589 174.7399 14 G 4.0823 9.0331 111.7323 45.1036 0.0000 172.3397 15 T 5.4594 8.3770 108.8386 58.7380 71.3119 173.2079 16 A 4.6865 8.4251 125.4383 49.6265 22.5810 175.0201 17 G 3.8635 8.8461 109.7471 46.2320 0.0000 173.0724 18 C 4.4145 8.6866 126.7697 59.1160 32.4910 173.0956 19 K 4.2455 7.5585 119.3467 55.9635 33.1317 176.4708 20 K 3.9160 9.1831 121.0133 57.1814 30.2867 174.9255 21 C 4.6978 7.6449 108.3901 57.5404 31.8379 173.3711 22 K 4.4266 8.4956 121.4882 55.8029 31.1566 173.3730 23 E 4.9708 7.5638 120.4707 54.7728 34.1767 174.1441 24 K 4.8453 8.5238 117.3220 55.4048 36.4038 176.3057 25 I 4.2485 9.1929 123.8116 60.4896 37.8797 175.2464 26 V 4.6130 8.1111 126.8534 60.1593 34.8427 174.8214 27 K 3.7291 8.5578 122.2245 58.2901 32.0242 177.0512 28 G 4.0710 9.0560 110.6590 44.9051 0.0000 173.0606 29 V 4.5175 7.8359 120.7594 61.1478 33.9598 173.9166 30 C 4.3073 8.6448 128.2636 58.2494 32.3946 172.6073 31 R 5.5367 8.6856 121.7925 53.5935 32.5572 173.9462 32 I 5.0854 8.7994 120.8987 59.9845 40.0182 174.5393 33 G 4.2941 9.8142 114.0950 44.3173 0.0000 172.1907 34 K 4.0548 8.2793 126.3825 54.4035 33.9822 174.9459 35 V 4.3391 8.8368 129.5250 60.7499 32.3981 174.8009 36 V 4.5788 7.9151 127.6948 58.8633 34.7673 172.9558 37 P 4.7915 0.0000 0.0000 62.2530 32.1727 175.0054 38 N 4.8450 8.4876 122.4814 50.6821 39.7782 174.6351 39 P 4.6494 0.0000 0.0000 61.8447 29.6251 174.3666 40 F 4.6547 8.0655 125.9885 59.8136 45.2989 173.9614 41 S 4.8920 8.1159 113.0519 56.5556 64.6113 173.3587 42 E 4.2845 8.5867 123.2547 58.6432 30.0683 178.2055 43 S 4.2142 8.1726 112.4526 60.9984 62.8037 174.8309 44 G 3.8632 7.7981 110.2518 43.8882 0.0000 172.8201 45 G 3.6555 7.4874 111.0732 47.5033 0.0000 169.4915 46 D 5.5818 7.9715 116.6582 50.8809 44.3866 174.7519 47 M 4.8139 8.5181 121.6809 53.4458 35.7097 174.1426 48 K 5.1988 8.1988 121.5705 54.0941 35.7447 174.9436 49 E 4.3274 8.0920 119.9939 54.2786 33.7308 174.3630 50 W 5.5383 7.9219 120.5190 54.9533 31.8869 174.9233 51 Y 4.9448 8.7736 119.6267 56.7193 42.3178 174.0815 52 H 5.0779 8.6362 116.9992 55.2399 31.3499 176.3194 53 I 4.0590 8.5133 118.3356 64.1590 36.9947 177.9359 54 K 4.2811 8.0412 119.6214 58.7145 32.4129 178.3584 55 C 4.2284 8.1145 116.6924 63.1805 28.2954 175.5959 56 M 3.9000 7.8152 118.9025 58.6607 31.2774 178.2397 57 F 3.9681 8.0360 117.4667 60.1132 38.9717 177.4484 58 E 4.0509 9.0354 119.7790 58.9623 29.3244 178.6468 59 K 3.9257 8.1117 119.8897 59.4002 31.9798 178.6932 60 L 3.8696 7.1895 117.6055 57.8610 41.6405 178.7460 61 E 4.0388 7.6736 116.9918 59.0932 29.5726 178.2391 62 R 4.1977 7.6612 117.0785 57.1449 30.5995 176.2719 63 A 4.1869 7.9727 121.4655 51.6018 19.0126 177.0593 64 R 4.0898 8.2026 117.9501 56.3931 30.6863 177.2775 65 A 4.2470 8.3898 122.6682 54.9259 19.2157 179.0857 66 T 3.9620 8.0714 111.9515 66.1629 68.6464 174.2561 67 T 4.5139 7.7124 110.5038 59.4686 70.4641 173.4604 68 K 4.5933 8.4682 126.3414 54.2607 34.6896 174.9995 69 K 4.3730 7.8984 123.0565 55.2633 35.4115 174.9410 70 I 2.9216 8.0112 123.1789 61.7791 34.0637 172.7587 71 E 4.5242 8.2874 122.9952 55.2731 31.8871 177.5605 72 D 4.1977 8.4038 121.1523 54.6198 41.2106 172.6811 73 L 4.7625 8.0425 117.2255 54.5393 42.4719 177.7913 74 T 3.5916 7.3610 104.4678 60.3512 68.4966 172.9867 75 E 4.8588 8.1128 118.6166 56.5927 30.7398 175.6623 76 L 4.7119 8.1648 117.7274 53.6655 45.5780 175.0650 77 E 4.2720 9.1477 124.5453 57.1381 28.7305 176.6595 78 G 4.9911 8.4984 125.6863 46.4300 0.0000 172.9240 79 W 4.3947 7.8333 117.9776 59.3563 28.1623 177.7605 80 E 3.5049 6.5138 118.6744 58.7706 29.1104 177.2989 81 E 3.9521 7.7981 118.4775 58.9434 29.7286 176.7499 82 L 4.2746 7.2390 116.6299 55.4375 42.3086 176.3575 83 E 4.7816 8.4103 117.9823 54.6268 33.1667 176.9442 84 D 4.3892 8.5849 120.4195 57.7299 40.5576 178.8185 85 N 4.3065 8.1206 116.7218 56.9167 39.1915 176.6015 86 E 4.0763 8.2250 119.4675 59.3003 29.5695 179.0400 87 K 4.0181 9.0022 120.3421 59.6152 32.2156 178.6098 88 E 4.0299 8.3113 120.1828 58.8941 29.1405 179.1380 89 Q 3.9785 7.6418 118.3198 59.2004 29.2226 178.0937 90 I 3.7753 7.6878 120.4328 64.6128 37.1092 178.4887 91 T 3.8328 8.1096 116.7662 66.5925 68.1700 176.3293 92 Q 4.0061 8.0531 121.5000 59.4226 28.9793 178.1486 93 H 3.7121 7.6933 117.0581 58.8725 28.6457 177.8649 94 I 3.7995 7.4164 120.7372 64.2768 36.9563 178.2318 95 A 3.9978 8.0866 121.7369 55.1494 17.9761 179.2526 96 D 4.2335 8.1733 116.0716 57.3287 41.3933 177.9494 97 L 4.0889 8.4080 120.3523 57.5288 42.1117 178.1993 98 S 4.3102 8.5307 112.4079 61.5259 63.2807 175.6414 99 S 3.4547 8.9482 116.4489 60.2077 62.3941 171.6187 100 K 3.7079 8.5087 113.7686 57.7894 28.4557 173.2118 101 A 4.4885 8.2004 120.3446 53.0061 21.0222 176.3428 102 A 4.5653 7.7420 113.5996 52.9501 21.7827 176.8856 103 G 4.1816 7.5096 102.0289 43.4866 0.0000 173.4767 104 T 4.5109 7.2134 115.5669 60.5534 68.3190 172.7337 105 P 4.4234 0.0000 0.0000 62.6891 31.6822 176.4226 106 K 4.7357 8.3132 121.9817 54.3805 35.7278 176.1510 107 K 4.5453 8.0593 119.8137 55.9474 36.0289 176.1652 108 K 3.6669 8.7573 120.0879 56.8367 28.6784 172.4613 109 A 4.6486 7.9796 121.0004 49.9155 21.6372 176.2124 110 V 4.5867 8.2765 121.6434 60.0122 34.5192 175.5228 111 V 4.4076 8.1161 113.7000 59.7807 35.3058 175.2443 112 Q 4.4394 8.7072 121.9233 54.2170 29.8246 174.6994 113 A 4.6976 8.4293 125.5285 49.9060 21.4459 175.4938 114 K 4.5004 8.6015 121.1106 54.6265 34.0470 175.5975 115 L 4.8172 8.4659 123.9296 52.7701 44.3120 176.2393 116 T 4.7042 8.3617 112.1944 60.1117 71.3429 174.1292 117 T 4.1928 8.2935 119.1379 63.9121 69.3652 173.8114 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 M 8.30 4.33 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 2 A 8.09 4.29 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 3 E 9.33 4.57 0.00 1.89 1.83 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 2.16 2.28 0.00 4 Q 8.63 4.65 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.49 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 5 R 8.31 4.72 0.00 1.93 1.75 0.00 3.11 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 6 F 8.90 5.15 0.00 2.99 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 7 C 9.76 5.12 0.00 3.02 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 8 V 8.44 4.79 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 1.10 0.00 0.00 1.12 0.00 0.00 9 D 9.27 5.01 0.00 2.72 1.69 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 10 Y 8.27 4.83 0.00 2.91 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 11 A 8.70 3.90 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 12 K 8.49 4.34 0.00 1.63 1.74 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.34 7.81 13 R 7.78 4.43 0.00 1.74 1.72 0.00 3.24 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 14 G 9.03 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 15 T 8.38 5.46 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 16 A 8.43 4.69 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 17 G 8.85 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 18 C 8.69 4.41 0.00 2.85 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 19 K 7.56 4.25 0.00 1.52 1.82 0.00 1.90 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.46 7.81 20 K 9.18 3.92 0.00 2.04 2.03 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.19 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.53 7.81 21 C 7.64 4.70 0.00 3.11 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 22 K 8.50 4.43 0.00 1.73 1.81 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.48 7.81 23 E 7.56 4.97 0.00 2.06 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 2.29 2.30 0.00 24 K 8.52 4.85 0.00 1.75 1.73 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.49 7.81 25 I 9.19 4.25 1.85 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.00 0.86 0.00 0.00 26 V 8.11 4.61 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 0.97 0.00 0.00 0.95 0.00 0.00 27 K 8.56 3.73 0.00 1.77 1.78 0.00 1.87 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.45 7.81 28 G 9.06 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 0.00 0.00 0.00 29 V 7.84 4.52 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 1.11 0.00 0.00 1.08 0.00 0.00 30 C 8.64 4.31 0.00 1.85 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.69 5.54 0.00 2.18 1.96 0.00 3.02 0.00 0.00 3.03 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.09 0.00 32 I 8.80 5.09 2.16 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.29 1.25 0.00 0.00 33 G 9.81 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 0.00 0.00 0.00 0.00 34 K 8.28 4.05 0.00 0.94 1.38 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.60 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.79 0.21 7.81 35 V 8.84 4.34 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 1.03 0.00 0.00 0.78 0.00 0.00 36 V 7.92 4.58 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 0.73 0.00 0.00 0.89 0.00 0.00 37 P 0.00 4.79 0.00 2.09 2.19 0.00 3.31 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 1.97 1.82 0.00 38 N 8.49 4.85 0.00 2.64 2.80 0.00 0.00 7.04 7.91 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 39 P 0.00 4.65 0.00 2.20 2.11 0.00 3.79 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 40 F 8.07 4.65 0.00 3.03 3.01 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 41 S 8.12 4.89 0.00 4.18 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 42 E 8.59 4.28 0.00 1.99 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 2.21 0.00 43 S 8.17 4.21 0.00 3.84 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 44 G 7.80 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 45 G 7.49 3.66 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 0.00 0.00 0.00 46 D 7.97 5.58 0.00 2.61 2.48 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 47 M 8.52 4.81 0.00 1.96 1.79 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 48 K 8.20 5.20 0.00 1.23 1.45 0.00 0.71 0.00 0.00 2.16 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.07 0.83 7.81 49 E 8.09 4.33 0.00 1.62 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 2.04 2.07 0.00 50 W 7.92 5.54 0.00 3.18 2.96 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 51 Y 8.77 4.94 0.00 3.01 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 52 H 8.64 5.08 0.00 3.24 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 8.51 4.06 1.86 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 1.56 1.11 0.40 0.00 0.00 54 K 8.04 4.28 0.00 1.92 1.87 0.00 1.74 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.59 7.81 55 C 8.11 4.23 0.00 3.23 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 56 M 7.82 3.90 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.11 0.00 57 F 8.04 3.97 0.00 3.61 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 58 E 9.04 4.05 0.00 2.16 2.14 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 2.34 2.35 0.00 59 K 8.11 3.93 0.00 1.98 1.70 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.48 7.81 60 L 7.19 3.87 0.00 1.88 1.67 0.67 0.66 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 61 E 7.67 4.04 0.00 2.03 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 0.00 2.33 2.34 0.00 62 R 7.66 4.20 0.00 1.81 1.93 0.00 3.33 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 63 A 7.97 4.19 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 64 R 8.20 4.09 0.00 1.81 1.87 0.00 3.36 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 65 A 8.39 4.25 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 66 T 8.07 3.96 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 67 T 7.71 4.51 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 1.21 0.00 0.00 68 K 8.47 4.59 0.00 1.67 1.66 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.38 7.81 69 K 7.90 4.37 0.00 1.53 1.28 0.00 1.95 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.30 1.36 7.81 70 I 8.01 2.92 1.50 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 -0.36 0.73 0.00 0.00 71 E 8.29 4.52 0.00 1.89 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 2.18 2.20 0.00 72 D 8.40 4.20 0.00 2.69 2.57 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 73 L 8.04 4.76 0.00 1.50 1.40 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 74 T 7.36 3.59 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 0.19 0.00 0.00 75 E 8.11 4.86 0.00 2.06 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 2.17 2.18 0.00 76 L 8.16 4.71 0.00 1.72 1.73 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 77 E 9.15 4.27 0.00 2.11 1.90 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 2.24 2.22 0.00 78 G 8.50 4.99 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 79 W 7.83 4.39 0.00 3.59 3.45 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 80 E 6.51 3.50 0.00 1.16 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 1.88 1.79 0.00 81 E 7.80 3.95 0.00 1.93 2.04 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 2.33 2.27 0.00 82 L 7.24 4.27 0.00 2.06 1.83 1.01 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.41 4.78 0.00 2.19 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 2.32 2.39 0.00 84 D 8.58 4.39 0.00 2.79 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 85 N 8.12 4.31 0.00 2.77 2.83 0.00 0.00 7.20 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 86 E 8.22 4.08 0.00 2.37 2.26 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 2.64 2.67 0.00 87 K 9.00 4.02 0.00 2.02 2.00 0.00 1.87 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.45 1.55 7.81 88 E 8.31 4.03 0.00 2.29 1.99 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 2.33 2.32 0.00 89 Q 7.64 3.98 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.99 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 90 I 7.69 3.78 2.04 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 1.74 0.82 1.02 0.00 0.00 91 T 8.11 3.83 4.21 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 1.17 0.00 0.00 92 Q 8.05 4.01 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 93 H 7.69 3.71 0.00 2.57 1.42 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 I 7.42 3.80 2.01 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.75 0.96 0.00 0.00 95 A 8.09 4.00 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 96 D 8.17 4.23 0.00 2.54 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 97 L 8.41 4.09 0.00 1.77 1.81 1.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.53 4.31 0.00 3.86 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 99 S 8.95 3.45 0.00 3.97 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 0.00 100 K 8.51 3.71 0.00 1.86 1.81 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.41 7.81 101 A 8.20 4.49 1.23 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 0.00 0.00 102 A 7.74 4.57 1.22 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 0.00 0.00 103 G 7.51 4.18 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 0.00 0.00 0.00 104 T 7.21 4.51 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 0.00 105 P 0.00 4.42 0.00 2.21 2.08 0.00 3.75 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 1.98 1.98 0.00 106 K 8.31 4.74 0.00 1.70 1.69 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.41 7.81 107 K 8.06 4.55 0.00 1.67 1.64 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.44 7.81 108 K 8.76 3.67 0.00 1.86 1.81 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.36 7.81 109 A 7.98 4.65 1.18 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 0.00 0.00 110 V 8.28 4.59 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 0.75 0.00 0.00 0.93 0.00 0.00 111 V 8.12 4.41 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 0.84 0.00 0.00 0.92 0.00 0.00 112 Q 8.71 4.44 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 113 A 8.43 4.70 1.20 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 0.00 0.00 114 K 8.60 4.50 0.00 1.71 1.73 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.35 7.81 115 L 8.47 4.82 0.00 1.57 1.54 0.92 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 0.00 116 T 8.36 4.70 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 T 8.29 4.19 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