NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4508 8.3049 118.7877 54.1723 33.1324 175.1870 2 D 4.4645 8.3869 123.0714 52.3631 41.7654 174.8266 3 K 4.0597 9.1354 122.4968 56.9922 33.9151 176.7094 4 K 4.2651 8.1580 123.2471 55.9086 34.3419 175.5957 5 T 5.3580 9.5595 117.6466 62.0140 71.7106 173.2936 6 I 4.9765 9.0321 126.4414 59.2548 41.1930 173.4623 7 Y 5.2281 8.5826 129.8242 55.9942 41.3730 174.0527 8 F 4.8582 9.3603 127.2930 56.7165 40.6180 175.0908 9 I 4.9736 8.8221 125.0971 59.6933 40.5347 175.1537 10 S 4.6025 8.4998 119.4801 57.7224 66.5078 174.3452 11 T 4.0028 8.2474 114.8003 65.7696 69.2978 176.6556 12 G 4.0981 7.7233 105.0293 43.7886 0.0000 172.4454 13 N 5.0537 7.3255 115.9229 53.8882 38.0674 173.5262 14 S 4.9158 8.1668 112.7800 58.3859 64.6004 173.1015 15 A 4.7718 7.1849 119.1306 53.0733 22.2817 177.8765 16 R 3.8410 8.0584 112.2745 59.1705 30.5895 179.5998 17 S 4.1551 7.9897 113.0367 61.2652 63.1587 176.2836 18 Q 4.0814 7.9749 121.5053 59.0784 28.5161 178.1384 19 M 3.9743 8.3423 119.7542 58.0143 31.9496 178.6779 20 A 3.6904 7.8231 121.1902 54.8579 18.3147 179.3197 21 E 4.0595 8.1792 118.0463 59.1373 29.7410 179.2269 22 G 3.5256 8.1654 105.8020 47.7133 0.0000 175.7534 23 W 4.5467 8.3812 122.5636 59.1834 29.0436 178.7529 24 G 3.8667 8.6530 106.1728 48.0157 0.0000 175.5941 25 K 3.9938 8.2879 121.2719 59.1721 31.8416 179.0378 26 E 4.1161 7.6634 117.5471 59.3805 29.7978 178.4609 27 I 4.0710 8.2836 118.9669 63.4117 37.6283 177.3695 28 L 4.8401 8.4905 117.8541 54.1712 41.9194 178.2526 29 G 4.0122 7.7009 107.8303 48.9083 0.0000 175.1329 30 E 4.1489 8.4764 118.3617 58.4692 29.7919 177.5144 31 G 4.2132 8.3481 102.6299 45.5062 0.0000 172.5832 32 W 5.7667 8.5981 119.1542 54.9950 33.6945 174.1929 33 N 4.9108 9.5641 120.5139 51.7985 40.1513 174.0699 34 V 4.9267 8.0890 123.2711 61.3862 33.7669 174.0603 35 Y 5.1889 8.9451 124.2719 56.5089 42.5780 174.2202 36 S 5.5259 8.8799 113.6094 57.6542 66.5615 172.5557 37 A 4.9048 8.8565 121.9626 51.5366 22.8679 174.9796 38 G 4.8693 9.0411 105.6214 45.4393 0.0000 174.1308 39 I 4.0986 8.4638 120.7045 63.6840 37.7805 175.9206 40 E 4.8555 8.3762 118.9368 55.1068 33.6283 174.2181 41 T 4.9681 8.4749 110.3706 60.5065 70.2678 173.6028 42 H 4.7074 9.2042 122.9348 54.8627 29.6777 175.7164 43 G 3.9588 7.9861 106.5062 44.8813 0.0000 172.7917 44 V 4.2002 7.9916 118.5984 61.5632 31.9944 175.2263 45 N 4.3945 8.8323 126.8061 53.3033 39.6072 173.5479 46 P 4.1826 0.0000 0.0000 65.8847 31.3620 178.9314 47 K 3.6705 8.3727 117.0192 58.8713 31.7111 179.3767 48 A 4.2566 7.8871 121.0003 55.0487 18.4268 179.5501 49 I 3.6164 7.7336 118.3724 64.6301 37.1327 178.4389 50 E 3.9427 8.2026 119.1373 59.3820 27.8905 179.3203 51 A 4.1430 8.7963 121.0161 55.6752 18.4073 179.6665 52 M 4.1063 8.2469 117.1091 58.0140 31.9552 178.8374 53 K 3.8738 8.1430 120.0672 59.5318 32.0872 178.6810 54 E 4.1722 8.0814 117.7738 58.4190 29.3086 178.5738 55 V 4.3353 6.7930 110.9551 60.3643 32.7282 175.2266 56 D 4.4194 7.9452 116.1638 55.6466 38.8051 173.8327 57 I 4.3053 7.7780 118.6262 59.3639 39.7638 174.8645 58 D 4.6353 8.6144 125.1672 52.9508 41.7759 175.5154 59 I 4.2354 7.9843 118.9526 60.4711 37.9446 177.1270 60 S 4.2849 8.3433 116.0716 60.3173 62.9824 174.4998 61 N 4.6400 7.8526 117.2039 53.5813 37.9229 174.9754 62 H 4.5372 7.8167 116.7955 56.0261 29.4270 174.4546 63 T 4.5978 8.1588 110.3556 59.9014 71.1762 173.5652 64 S 4.8300 8.5330 118.0882 57.4050 63.0486 172.7382 65 D 5.1706 9.5888 127.3382 52.3466 44.6705 175.8695 66 L 4.9347 8.3199 120.2045 53.1319 43.2308 176.9447 67 I 3.7658 8.2528 121.8548 61.6455 37.6601 175.7237 68 D 4.9421 9.2156 127.2993 53.2593 43.1547 177.5957 69 N 4.4215 8.7415 127.2734 57.7920 37.3986 173.8919 70 D 4.5423 8.5787 121.0807 57.3545 40.6456 178.9775 71 I 3.4041 7.6813 119.0491 63.9387 37.3465 177.8906 72 L 4.2753 7.9084 119.9125 57.9888 41.3110 179.7810 73 K 4.0370 7.9237 116.8541 58.8853 31.9796 178.3842 74 Q 4.4233 7.2953 115.2369 54.8000 29.3375 175.7946 75 S 4.4908 7.3809 117.2844 58.5193 63.6293 173.9847 76 D 4.7594 9.0210 124.3048 56.0579 41.9971 176.9554 77 L 4.7533 7.9086 119.9247 53.7540 45.8612 174.2265 78 V 4.6110 8.8128 126.6304 61.0316 34.0501 174.2084 79 V 4.4668 8.2189 128.3056 61.0834 33.4525 174.2427 80 T 4.7747 8.6432 119.3561 61.0882 70.4590 175.2568 81 L 5.6263 9.2854 123.8029 54.3472 43.5584 175.4927 82 C 5.0078 7.7535 113.3435 55.7993 32.7476 175.0764 83 S 4.0455 8.7657 114.9350 61.5869 62.4371 175.7275 84 D 4.2797 8.1744 121.2480 57.0073 41.0337 178.0961 85 A 4.0427 7.9056 120.5329 55.1634 18.2644 178.9155 86 D 4.2332 7.9168 115.3504 57.6806 41.3942 177.9608 87 N 4.5322 8.5588 116.0984 55.2992 38.6481 176.2372 88 N 4.8420 7.8241 115.1186 51.7595 39.2842 174.5245 89 C 4.1337 7.3854 122.1993 58.3258 32.0226 171.7791 90 P 4.4131 0.0000 0.0000 62.3803 31.4072 175.9924 91 I 3.6898 8.1679 120.0533 61.8953 37.3636 176.1839 92 L 4.5484 8.1648 124.7503 52.5730 43.4127 174.8085 93 P 4.4308 0.0000 0.0000 62.0517 31.8634 176.0433 94 P 4.2737 0.0000 0.0000 65.2903 31.3024 177.0398 95 N 4.6671 7.9945 112.5105 52.6820 38.0156 174.5934 96 V 4.0963 7.4649 120.4579 62.2129 32.3903 175.7097 97 K 4.4397 8.6777 127.2031 55.9824 33.6831 175.6722 98 K 5.0442 8.5229 123.7505 54.8168 35.1949 175.0126 99 E 4.8467 9.2237 125.3953 54.8411 34.3392 174.0301 100 H 5.1605 8.9309 121.8890 53.8235 31.8564 173.7537 101 W 4.6488 8.8934 127.8056 54.7446 30.1045 175.1205 102 G 3.9565 8.0616 111.8924 45.8742 0.0000 170.8094 103 F 5.0304 8.6546 122.0019 55.2389 42.9993 174.8430 104 D 4.4323 8.8471 121.6598 54.2673 41.3364 175.7179 105 D 4.5092 8.4609 122.4521 53.1427 41.5723 174.5768 106 P 4.0880 0.0000 0.0000 63.4581 31.9421 175.9560 107 A 4.2825 7.8586 122.6448 54.3070 18.3999 178.0567 108 G 3.9778 9.2136 110.3998 45.4931 0.0000 173.1811 109 K 4.5479 7.8172 118.8351 54.3328 34.4102 175.7050 110 E 4.3917 8.4678 119.0405 55.7955 30.4555 178.0124 111 W 5.0865 9.2739 130.1226 61.4521 30.4305 178.0282 112 S 4.0156 8.4372 113.2566 61.7839 62.1331 176.2771 113 E 3.9505 8.4665 121.9311 59.1301 29.0592 179.2758 114 F 3.9973 8.4160 117.5589 60.2544 39.0827 177.6883 115 Q 3.7282 7.6655 117.7349 58.6911 28.4672 178.6811 116 R 3.7785 8.0110 119.7328 59.5816 30.1963 178.7836 117 V 3.7611 7.7145 118.0127 65.7787 31.4552 177.7196 118 R 3.9795 8.2398 118.8661 59.8777 29.9764 178.2346 119 D 4.3781 8.1455 118.0220 56.8194 40.8035 178.6720 120 E 4.0266 8.0658 119.6394 59.3038 29.5026 179.2640 121 I 3.2851 7.6711 119.9644 63.8197 36.9862 178.1934 122 K 2.8074 7.4914 120.4690 59.1708 31.7570 178.4903 123 L 3.8810 7.5313 120.0720 58.0517 41.9713 178.7691 124 A 3.7359 7.9004 120.7165 55.1919 18.3130 179.7353 125 I 4.0077 7.8369 118.3137 64.3767 36.9543 178.5433 126 E 3.9638 8.1019 119.0811 59.3158 29.5953 179.2290 127 K 4.0629 8.1676 118.6766 59.1954 32.2086 179.0044 128 F 4.1004 8.1673 121.0017 61.4261 39.0739 177.0628 129 K 3.8009 7.9709 117.6161 58.9514 31.8850 177.4779 130 L 4.5338 7.2198 117.1592 54.5693 42.0603 176.8475 131 R 4.0595 7.5237 124.1049 56.5762 29.9845 176.5131 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 4.45 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 2 D 8.39 4.46 0.00 2.95 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 9.14 4.06 0.00 1.61 1.70 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.19 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.46 7.81 4 K 8.16 4.27 0.00 0.79 0.94 0.00 0.61 0.00 0.00 1.02 0.00 0.00 2.58 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.00 0.78 7.81 5 T 9.56 5.36 4.49 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 0.00 0.00 0.00 1.37 0.00 0.00 6 I 9.03 4.98 1.57 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.99 0.91 0.00 0.00 7 Y 8.58 5.23 0.00 2.91 2.64 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 0.00 0.00 0.00 0.00 8 F 9.36 4.86 0.00 3.09 2.88 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 9 I 8.82 4.97 1.72 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.80 0.77 0.00 0.00 10 S 8.50 4.60 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 11 T 8.25 4.00 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 1.26 0.00 0.00 12 G 7.72 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 13 N 7.33 5.05 0.00 2.79 2.80 0.00 0.00 6.85 7.30 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 14 S 8.17 4.92 0.00 3.97 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 15 A 7.18 4.77 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 16 R 8.06 3.84 0.00 1.86 1.97 0.00 3.24 0.00 0.00 3.65 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 17 S 7.99 4.16 0.00 4.10 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 18 Q 7.97 4.08 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.95 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 19 M 8.34 3.97 0.00 2.04 2.06 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 2.81 2.52 0.00 20 A 7.82 3.69 0.27 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 21 E 8.18 4.06 0.00 2.19 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 2.23 2.33 0.00 22 G 8.17 3.53 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 0.00 0.00 0.00 23 W 8.38 4.55 0.00 3.25 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 24 G 8.65 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 25 K 8.29 3.99 0.00 1.98 1.91 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.72 7.81 26 E 7.66 4.12 0.00 2.43 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 0.00 2.32 2.22 0.00 27 I 8.28 4.07 2.06 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 1.61 0.98 0.97 0.00 0.00 28 L 8.49 4.84 0.00 1.89 1.78 0.85 0.87 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 29 G 7.70 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 0.00 0.00 0.00 30 E 8.48 4.15 0.00 2.06 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 0.00 2.36 2.37 0.00 31 G 8.35 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 0.00 0.00 0.00 0.00 32 W 8.60 5.77 0.00 3.30 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 33 N 9.56 4.91 0.00 2.73 2.64 0.00 0.00 6.58 7.70 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 34 V 8.09 4.93 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 1.06 0.00 0.00 1.07 0.00 0.00 35 Y 8.95 5.19 0.00 2.86 2.80 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 0.00 0.00 0.00 36 S 8.88 5.53 0.00 3.94 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 37 A 8.86 4.90 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 38 G 9.04 4.87 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 39 I 8.46 4.10 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.95 0.90 0.00 0.00 40 E 8.38 4.86 0.00 2.05 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 0.00 2.42 2.07 0.00 41 T 8.47 4.97 4.27 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 1.29 0.00 0.00 42 H 9.20 4.71 0.00 3.16 3.34 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.99 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 0.00 0.00 0.00 44 V 7.99 4.20 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 0.80 0.00 0.00 0.96 0.00 0.00 45 N 8.83 4.39 0.00 2.90 2.85 0.00 0.00 6.75 7.22 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 46 P 0.00 4.18 0.00 2.06 1.99 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 47 K 8.37 3.67 0.00 0.79 0.74 0.00 1.38 0.00 0.00 1.31 0.00 0.00 3.17 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.01 1.06 7.81 48 A 7.89 4.26 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 49 I 7.73 3.62 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.92 0.86 0.00 0.00 50 E 8.20 3.94 0.00 1.70 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 2.20 1.90 0.00 51 A 8.80 4.14 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.25 4.11 0.00 1.86 1.99 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.78 0.00 53 K 8.14 3.87 0.00 2.00 2.05 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.36 7.81 54 E 8.08 4.17 0.00 2.16 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 2.56 2.90 0.00 55 V 6.79 4.34 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 0.92 0.00 0.00 0.58 0.00 0.00 56 D 7.95 4.42 0.00 2.83 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 57 I 7.78 4.31 1.48 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.54 0.67 0.00 0.00 58 D 8.61 4.64 0.00 2.56 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 59 I 7.98 4.24 1.33 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 1.33 0.47 0.67 0.00 0.00 60 S 8.34 4.28 0.00 3.98 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 61 N 7.85 4.64 0.00 2.87 2.98 0.00 0.00 6.11 7.90 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 62 H 7.82 4.54 0.00 3.27 3.38 0.00 5.61 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.16 4.60 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 1.24 0.00 0.00 64 S 8.53 4.83 0.00 3.93 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 65 D 9.59 5.17 0.00 2.64 2.56 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 66 L 8.32 4.93 0.00 1.55 1.61 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.25 3.77 1.85 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.56 0.89 0.00 0.00 68 D 9.22 4.94 0.00 2.81 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 0.00 0.00 0.00 0.00 69 N 8.74 4.42 0.00 2.77 2.81 0.00 0.00 6.92 8.07 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 70 D 8.58 4.54 0.00 2.78 2.66 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 71 I 7.68 3.40 1.42 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.29 -0.45 0.00 0.00 72 L 7.91 4.28 0.00 1.95 1.77 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 73 K 7.92 4.04 0.00 2.11 1.86 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.36 7.81 74 Q 7.30 4.42 0.00 1.91 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 75 S 7.38 4.49 0.00 4.06 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 76 D 9.02 4.76 0.00 2.87 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 77 L 7.91 4.75 0.00 1.93 1.51 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.81 4.61 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 0.84 0.00 0.00 0.98 0.00 0.00 79 V 8.22 4.47 1.21 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 -0.18 0.00 0.00 -0.37 0.00 0.00 80 T 8.64 4.77 4.27 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 1.15 0.00 0.00 81 L 9.29 5.63 0.00 1.69 1.94 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 82 C 7.75 5.01 0.00 3.10 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 83 S 8.77 4.05 0.00 4.05 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 84 D 8.17 4.28 0.00 2.81 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 85 A 7.91 4.04 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 86 D 7.92 4.23 0.00 2.70 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 87 N 8.56 4.53 0.00 2.66 2.84 0.00 0.00 7.00 8.03 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 88 N 7.82 4.84 0.00 2.81 2.81 0.00 0.00 6.96 7.24 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 89 C 7.39 4.13 0.00 3.12 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 90 P 0.00 4.41 0.00 2.21 2.04 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 91 I 8.17 3.69 1.87 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 1.41 0.80 0.91 0.00 0.00 92 L 8.16 4.55 0.00 1.63 1.59 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.43 0.00 2.18 1.97 0.00 3.63 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 2.12 2.12 0.00 94 P 0.00 4.27 0.00 2.04 2.13 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 95 N 7.99 4.67 0.00 2.83 2.93 0.00 0.00 5.94 7.68 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 96 V 7.46 4.10 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 0.87 0.00 0.00 1.00 0.00 0.00 97 K 8.68 4.44 0.00 1.97 1.76 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.57 1.49 7.81 98 K 8.52 5.04 0.00 1.69 1.62 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.38 7.81 99 E 9.22 4.85 0.00 1.79 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 2.32 0.00 100 H 8.93 5.16 0.00 3.10 3.26 0.00 5.70 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 W 8.89 4.65 0.00 3.45 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 0.00 102 G 8.06 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 0.00 0.00 0.00 103 F 8.65 5.03 0.00 2.92 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 0.00 104 D 8.85 4.43 0.00 2.67 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 0.00 105 D 8.46 4.51 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 4.09 0.00 0.49 1.61 0.00 3.64 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 1.53 1.43 0.00 107 A 7.86 4.28 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 0.00 108 G 9.21 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 0.00 0.00 0.00 109 K 7.82 4.55 0.00 2.04 1.87 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.47 7.81 110 E 8.47 4.39 0.00 2.15 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 2.48 2.38 0.00 111 W 9.27 5.09 0.00 3.26 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 0.00 112 S 8.44 4.02 0.00 4.08 4.15 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 0.00 113 E 8.47 3.95 0.00 2.22 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 2.52 0.00 114 F 8.42 4.00 0.00 3.26 3.16 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 0.00 115 Q 7.67 3.73 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 1.93 1.19 0.00 116 R 8.01 3.78 0.00 1.93 2.02 0.00 3.26 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 117 V 7.71 3.76 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 0.85 0.00 0.00 0.94 0.00 0.00 118 R 8.24 3.98 0.00 2.07 2.20 0.00 3.24 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 2.14 1.88 0.00 119 D 8.15 4.38 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.07 4.03 0.00 2.36 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 0.00 2.37 2.71 0.00 121 I 7.67 3.29 1.86 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.13 0.72 0.00 0.00 122 K 7.49 2.81 0.00 0.79 1.37 0.00 0.64 0.00 0.00 1.12 0.00 0.00 2.72 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.94 0.21 7.81 123 L 7.53 3.88 0.00 1.69 1.71 0.82 0.95 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 0.00 124 A 7.90 3.74 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 125 I 7.84 4.01 1.97 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 1.94 0.99 1.08 0.00 0.00 126 E 8.10 3.96 0.00 1.96 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 2.24 2.35 0.00 127 K 8.17 4.06 0.00 1.66 1.76 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.55 7.81 128 F 8.17 4.10 0.00 3.15 3.35 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 0.00 129 K 7.97 3.80 0.00 1.86 2.04 0.00 2.09 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.54 7.81 130 L 7.22 4.53 0.00 1.63 1.62 0.89 0.94 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 0.00 131 R 7.52 4.06 0.00 1.68 1.80 0.00 3.14 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00