NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3957 8.3049 118.1901 55.1164 32.7735 174.7779 2 N 4.7308 8.1680 117.5815 51.7591 40.3966 175.1126 3 S 4.1955 10.0699 117.1371 61.6441 63.6778 176.4810 4 E 3.9335 8.1542 121.8593 59.1136 29.2737 178.8703 5 V 3.6732 7.7118 118.4160 65.9549 31.4996 178.1002 6 I 3.8394 7.6685 119.1741 64.3363 37.0250 178.3895 7 K 3.8071 7.9959 119.3622 59.4695 31.8499 179.3233 8 E 4.0618 8.2353 118.7539 59.1850 29.3722 179.1197 9 F 4.1693 8.5722 121.1515 61.3920 39.3919 177.2675 10 L 3.9517 8.4011 118.8428 57.4427 41.1155 179.1414 11 E 3.9182 8.1889 119.5122 59.2120 29.3947 178.3690 12 D 4.1990 7.7733 116.8228 57.4365 41.4700 178.0927 13 I 3.6644 7.1357 112.0835 61.6730 38.6820 175.8972 14 G 3.7479 8.0621 107.1869 45.7337 0.0000 172.4739 15 E 4.7106 8.3589 117.1824 54.3579 33.4952 174.0154 16 D 4.8615 8.7861 124.7715 53.1053 42.3593 175.5242 17 Y 4.8650 8.0083 120.8056 55.4495 40.7931 175.6984 18 I 4.2125 8.4613 123.1376 60.0812 38.0248 173.3824 19 E 5.0460 8.6555 127.9591 54.2250 30.7745 175.8318 20 L 4.4934 8.9994 129.3951 54.3222 42.1777 173.1640 21 E 3.4883 8.6792 126.9983 56.5408 27.6768 173.9794 22 N 4.3150 8.7097 121.5412 53.3552 36.7085 173.5904 23 E 4.8311 7.8274 117.8349 54.7060 33.1696 175.0659 24 I 4.6781 8.5843 127.2753 60.0319 38.9909 174.5618 25 H 5.1353 9.5813 126.2467 55.0044 29.8474 175.0986 26 L 5.3271 8.4919 122.7843 52.4158 45.4905 176.3071 27 K 4.3313 8.5574 119.1525 55.5551 33.1418 176.4729 28 P 4.4852 0.0000 0.0000 66.2792 31.2712 178.8203 29 E 4.1843 8.3158 116.5959 59.3119 29.3531 179.4701 30 V 3.8592 7.9478 118.0094 65.9029 31.7793 177.5233 31 F 4.3100 9.0736 120.8864 61.7592 38.8634 176.3547 32 Y 4.5885 8.7352 119.0125 61.0364 38.6005 178.1133 33 E 4.0928 8.2573 118.0682 59.3751 29.7301 179.3811 34 V 3.6469 8.3075 118.6842 65.4269 31.4909 177.6440 35 W 3.7804 8.4796 128.5641 60.6205 30.6010 178.2445 36 K 3.3044 7.4763 117.4317 58.9007 31.1322 178.8239 37 Y 3.9987 7.5972 119.5375 60.2713 38.6967 177.4540 38 V 3.7855 7.1974 110.6555 61.0101 31.7773 176.7919 39 G 3.6032 7.1411 107.0155 44.0300 0.0000 174.4100 40 E 2.5400 7.0783 112.4314 56.3092 27.9258 173.1099 41 P 4.6725 0.0000 0.0000 62.1194 34.2584 175.8592 42 E 4.2977 8.6249 117.5650 56.7666 30.0204 176.1942 43 L 4.6558 8.3264 122.7727 53.3164 43.8779 175.7305 44 K 4.3847 8.6754 124.3415 54.8270 34.0309 174.7893 45 T 4.9508 8.2678 117.9680 60.0764 70.9009 173.3907 46 Y 4.9441 8.9653 121.8743 55.2764 41.8794 174.0139 47 V 4.5825 8.4481 120.5565 61.2212 33.7719 174.5770 48 I 4.4353 8.5386 127.9236 59.2518 40.6337 174.3712 49 E 4.6472 8.9892 130.3737 55.9239 29.4466 175.1981 50 D 4.8319 9.2573 125.8472 52.4037 43.1302 174.7626 51 E 4.9370 8.7145 126.1015 55.5403 31.1018 175.8036 52 I 4.2123 8.8139 126.0363 60.3271 39.2186 175.6315 53 V 4.5365 8.3337 129.2862 60.4302 33.4213 175.1233 54 E 4.2831 8.4408 119.7304 54.7113 30.1967 174.4609 55 P 4.3063 0.0000 0.0000 63.0624 32.1090 178.0816 56 G 4.9103 7.2238 122.6522 45.0704 0.0000 172.6366 57 E 3.8564 7.8912 119.6591 56.8458 29.5707 177.6806 58 Y 4.4617 8.2472 123.5256 56.6335 36.8880 173.9812 59 D 4.6673 8.1557 120.4915 54.7879 44.7665 174.0180 60 P 4.5188 0.0000 0.0000 61.2978 32.2827 174.2415 61 P 4.3800 0.0000 0.0000 62.7229 31.8122 176.2107 62 E 4.5026 8.5121 121.2215 56.5563 27.4863 174.5189 63 M 4.7318 7.9606 122.3455 56.2269 39.5802 175.5629 64 K 4.2854 7.4791 116.3696 56.0099 32.9425 175.7806 65 Y 4.4742 8.2391 122.1621 55.4918 40.3849 175.6933 66 T 4.0202 8.1231 117.8124 61.6761 69.4344 173.0561 67 N 5.1249 8.2583 119.5320 50.9933 40.0626 174.5310 68 V 4.1282 8.2144 113.4602 61.1993 33.0850 175.4259 69 K 4.5478 8.5185 122.1487 54.5307 35.0853 175.5273 70 K 4.4684 8.7094 126.5415 55.5002 32.5781 176.3903 71 V 4.0700 8.5493 130.0967 61.4800 32.0062 175.0351 72 K 4.7813 8.5362 128.4634 55.9323 32.7337 175.4264 73 I 4.4069 8.4064 127.0591 59.1610 40.3516 173.8757 74 K 4.6434 8.4926 130.0653 55.1915 33.7576 175.2242 75 K 5.1329 8.5512 126.5310 54.3884 36.5072 175.3381 76 V 4.8944 8.3733 121.1214 60.3688 34.5860 174.0646 77 Y 5.9776 8.7457 119.7035 56.4348 41.9171 173.2359 78 F 5.3539 8.6605 113.8085 55.2272 41.7598 173.1295 79 E 5.1609 9.0353 120.1961 55.1874 31.4889 176.4348 80 T 4.5086 8.4739 114.8560 60.4337 70.8511 175.3116 81 L 4.0932 8.4179 120.1065 57.6135 41.6200 177.8135 82 D 4.6142 8.0487 116.3290 53.7034 40.9405 176.0436 83 N 4.2387 7.9559 115.2255 54.0678 36.7551 173.7867 84 V 4.0858 7.4438 119.0091 62.2746 33.0930 175.0288 85 R 4.7033 9.0344 128.1501 54.8103 31.5810 176.1901 86 V 4.1958 8.2317 126.6362 62.2323 32.0477 174.7945 87 V 4.8433 8.2242 128.7506 62.0030 33.6765 174.7449 88 T 4.8629 8.7191 122.0237 61.8023 73.6102 172.9413 89 D 4.5978 8.7522 124.2402 55.0355 41.0708 177.0399 90 Y 4.1764 8.2673 126.7803 60.2201 38.7950 177.7454 91 S 4.0140 8.0587 115.1511 61.5541 63.0853 176.0892 92 E 3.9465 8.1034 122.8987 58.3328 29.3705 178.2112 93 F 4.1982 8.3814 121.0949 61.6345 39.5608 177.2790 94 Q 3.6213 8.0774 117.7931 58.4302 28.4708 178.6115 95 K 3.8451 7.6413 120.4132 59.6285 32.1131 178.9556 96 I 3.6540 7.7297 120.1148 63.9375 36.8662 178.3306 97 L 3.7129 7.5971 120.1047 57.8512 41.0989 179.8739 98 K 3.9121 8.3702 118.4936 58.8865 31.6224 179.5464 99 K 3.7765 7.4178 119.0225 59.5806 32.3792 178.7491 100 R 4.1905 7.9538 115.5563 56.0382 30.3143 176.7624 101 G 3.6988 7.3454 106.3894 46.7900 0.0000 174.6142 102 T 4.1198 7.9932 118.2534 62.3456 67.5084 174.3583 103 K 4.1713 8.4143 128.3950 55.3292 32.7752 176.2700 104 L 4.4778 8.4871 127.0765 53.6993 41.7483 176.7390 105 E 4.2890 8.6968 123.5726 56.5329 30.1083 177.2442 106 H 4.3155 8.7773 118.2624 58.0046 29.1173 175.1723 107 H 4.6539 7.9383 118.0333 54.2125 31.6954 172.5796 108 H 4.6409 8.3581 124.3675 56.0293 29.4082 175.3122 109 H 4.8559 8.4470 118.7591 56.9885 28.7241 175.8251 110 H 4.9414 8.1802 111.9504 55.5649 30.9267 173.3099 111 H 4.3736 8.1037 124.4278 56.5690 29.9608 172.8963 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 4.40 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 2 N 8.17 4.73 0.00 2.94 2.86 0.00 0.00 7.43 6.41 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 3 S 10.07 4.20 0.00 3.76 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 4 E 8.15 3.93 0.00 2.03 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 2.39 2.37 0.00 5 V 7.71 3.67 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 1.24 0.00 0.00 0.96 0.00 0.00 6 I 7.67 3.84 2.03 0.00 0.00 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 1.75 0.77 1.02 0.00 0.00 7 K 8.00 3.81 0.00 1.90 1.73 0.00 1.55 0.00 0.00 1.45 0.00 0.00 2.50 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.55 1.44 7.81 8 E 8.24 4.06 0.00 2.25 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 0.00 2.63 2.50 0.00 9 F 8.57 4.17 0.00 3.15 3.26 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 10 L 8.40 3.95 0.00 2.01 2.01 1.04 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.19 3.92 0.00 2.20 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 0.00 2.31 2.34 0.00 12 D 7.77 4.20 0.00 2.65 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 I 7.14 3.66 1.65 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.59 0.20 0.00 0.00 14 G 8.06 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 0.00 0.00 0.00 15 E 8.36 4.71 0.00 1.85 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 2.38 0.00 16 D 8.79 4.86 0.00 2.68 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 17 Y 8.01 4.87 0.00 2.97 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 18 I 8.46 4.21 2.07 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 1.10 0.70 0.91 0.00 0.00 19 E 8.66 5.05 0.00 2.37 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 2.37 2.40 0.00 20 L 9.00 4.49 0.00 1.63 1.63 0.83 0.89 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 21 E 8.68 3.49 0.00 2.17 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 2.24 2.31 0.00 22 N 8.71 4.31 0.00 2.99 2.87 0.00 0.00 6.91 7.64 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 23 E 7.83 4.83 0.00 1.87 1.80 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 2.01 2.14 0.00 24 I 8.58 4.68 1.82 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.71 1.00 0.00 0.00 25 H 9.58 5.14 0.00 3.04 3.26 0.00 5.56 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.49 5.33 0.00 1.73 1.78 1.15 0.90 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 27 K 8.56 4.33 0.00 1.93 1.81 0.00 1.90 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.54 7.81 28 P 0.00 4.49 0.00 2.26 2.28 0.00 3.68 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 29 E 8.32 4.18 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 2.44 2.43 0.00 30 V 7.95 3.86 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 1.24 0.00 0.00 1.07 0.00 0.00 31 F 9.07 4.31 0.00 3.32 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 32 Y 8.74 4.59 0.00 3.61 3.37 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 33 E 8.26 4.09 0.00 2.43 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 0.00 2.55 2.77 0.00 34 V 8.31 3.65 2.21 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 1.09 0.00 0.00 1.26 0.00 0.00 35 W 8.48 3.78 0.00 2.62 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 36 K 7.48 3.30 0.00 1.58 1.52 0.00 1.34 0.00 0.00 1.31 0.00 0.00 2.47 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.87 0.73 7.81 37 Y 7.60 4.00 0.00 2.85 2.87 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 38 V 7.20 3.79 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 0.77 0.00 0.00 0.62 0.00 0.00 39 G 7.14 3.60 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 0.00 0.00 0.00 40 E 7.08 2.54 0.00 1.16 1.12 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 1.53 1.47 0.00 41 P 0.00 4.67 0.00 2.22 2.08 0.00 3.68 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.84 0.00 42 E 8.62 4.30 0.00 2.02 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 2.36 2.25 0.00 43 L 8.33 4.66 0.00 1.43 1.46 0.09 0.74 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 44 K 8.68 4.38 0.00 1.52 0.82 0.00 1.55 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.01 1.19 7.81 45 T 8.27 4.95 3.72 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 0.54 0.00 0.00 46 Y 8.97 4.94 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 47 V 8.45 4.58 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 0.88 0.00 0.00 48 I 8.54 4.44 2.08 0.00 0.00 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 1.27 1.39 0.90 0.00 0.00 49 E 8.99 4.65 0.00 1.89 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 2.31 2.37 0.00 50 D 9.26 4.83 0.00 2.75 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 51 E 8.71 4.94 0.00 1.90 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 2.28 2.30 0.00 52 I 8.81 4.21 1.87 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 1.27 1.36 0.97 0.00 0.00 53 V 8.33 4.54 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 0.77 0.00 0.00 0.92 0.00 0.00 54 E 8.44 4.28 0.00 1.99 1.91 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 2.16 2.18 0.00 55 P 0.00 4.31 0.00 2.16 2.13 0.00 3.84 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 1.93 1.93 0.00 56 G 7.22 4.91 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 57 E 7.89 3.86 0.00 1.86 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 2.27 2.26 0.00 58 Y 8.25 4.46 0.00 2.98 2.87 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 59 D 8.16 4.67 0.00 2.56 2.59 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 60 P 0.00 4.52 0.00 2.20 2.02 0.00 3.95 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 61 P 0.00 4.38 0.00 2.22 2.04 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 62 E 8.51 4.50 0.00 2.00 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 2.36 2.38 0.00 63 M 7.96 4.73 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 64 K 7.48 4.29 0.00 1.91 1.74 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.50 1.39 7.81 65 Y 8.24 4.47 0.00 2.84 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 66 T 8.12 4.02 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 1.12 0.00 0.00 67 N 8.26 5.12 0.00 2.84 2.85 0.00 0.00 6.14 7.69 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 68 V 8.21 4.13 2.22 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 0.82 0.00 0.00 0.98 0.00 0.00 69 K 8.52 4.55 0.00 1.70 1.67 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.34 7.81 70 K 8.71 4.47 0.00 1.91 1.76 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.43 7.81 71 V 8.55 4.07 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 0.95 0.00 0.00 0.98 0.00 0.00 72 K 8.54 4.78 0.00 1.79 1.85 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.43 7.81 73 I 8.41 4.41 1.85 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 1.05 1.65 0.91 0.00 0.00 74 K 8.49 4.64 0.00 1.89 1.79 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.11 1.31 7.81 75 K 8.55 5.13 0.00 0.79 1.51 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.24 1.10 7.81 76 V 8.37 4.89 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 0.54 0.00 0.00 0.74 0.00 0.00 77 Y 8.75 5.98 0.00 2.98 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 78 F 8.66 5.35 0.00 3.11 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 79 E 9.04 5.16 0.00 1.98 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 2.36 2.60 0.00 80 T 8.47 4.51 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 1.29 0.00 0.00 81 L 8.42 4.09 0.00 1.66 1.79 1.04 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.05 4.61 0.00 2.65 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 83 N 7.96 4.24 0.00 2.89 2.90 0.00 0.00 6.82 7.49 0.00 0.00 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 V 7.44 4.09 2.02 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 0.86 0.00 0.00 0.95 0.00 0.00 85 R 9.03 4.70 0.00 1.39 1.37 0.00 2.49 0.00 0.00 2.82 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 86 V 8.23 4.20 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 1.09 0.00 0.00 0.57 0.00 0.00 87 V 8.22 4.84 1.56 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 1.04 0.00 0.00 0.75 0.00 0.00 88 T 8.72 4.86 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 1.06 0.00 0.00 89 D 8.75 4.60 0.00 2.72 2.65 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 90 Y 8.27 4.18 0.00 2.84 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 91 S 8.06 4.01 0.00 4.07 4.11 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 92 E 8.10 3.95 0.00 2.11 2.15 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 2.41 2.44 0.00 93 F 8.38 4.20 0.00 3.21 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 94 Q 8.08 3.62 0.00 1.86 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.64 0.00 0.00 0.00 0.00 0.00 2.07 1.42 0.00 95 K 7.64 3.85 0.00 1.87 1.91 0.00 1.60 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.43 7.81 96 I 7.73 3.65 1.73 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 1.45 0.70 0.59 0.00 0.00 97 L 7.60 3.71 0.00 1.62 1.56 0.62 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.37 3.91 0.00 1.79 1.80 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.56 7.81 99 K 7.42 3.78 0.00 1.86 1.85 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.43 7.81 100 R 7.95 4.19 0.00 1.66 1.91 0.00 2.93 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.49 0.00 101 G 7.35 3.70 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 0.00 0.00 0.00 102 T 7.99 4.12 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 1.47 0.00 0.00 103 K 8.41 4.17 0.00 1.74 1.76 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.49 7.81 104 L 8.49 4.48 0.00 1.80 1.81 1.06 1.23 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 0.00 105 E 8.70 4.29 0.00 2.02 1.91 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 2.35 2.39 0.00 106 H 8.78 4.32 0.00 3.12 3.36 0.00 5.66 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 H 7.94 4.65 0.00 3.06 3.14 0.00 5.74 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 H 8.36 4.64 0.00 3.33 3.25 0.00 5.68 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 H 8.45 4.86 0.00 3.05 3.20 0.00 5.66 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 H 8.18 4.94 0.00 3.09 3.19 0.00 5.68 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 0.00 111 H 8.10 4.37 0.00 3.15 3.10 0.00 5.98 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00