NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4261 8.3049 120.3243 54.7303 32.8456 176.6059 2 S 4.0017 8.5550 123.7695 59.1861 63.2782 173.8126 3 T 4.1182 8.5462 123.7735 61.5280 67.7114 172.8895 4 T 4.4509 7.6093 119.1103 61.9957 74.3010 174.7028 5 I 3.7016 7.7769 122.1240 64.4390 36.9692 177.9422 6 E 3.8358 7.7679 117.9211 59.3649 29.2930 179.6812 7 K 3.9374 7.9111 117.7702 59.5177 32.2130 179.2177 8 I 3.7160 8.3061 120.4031 64.6323 36.9611 178.5032 9 Q 3.8781 8.7167 119.6723 59.0243 28.6018 179.0950 10 R 3.8983 7.7838 118.6863 59.2614 30.1143 179.2513 11 Q 3.9537 8.1129 117.8876 58.9482 28.5461 178.6702 12 I 3.5999 8.1083 119.7157 64.2676 37.1547 178.0158 13 A 4.2213 8.0324 120.9931 55.1333 18.2838 179.2171 14 E 4.1331 7.8889 114.9218 58.3838 29.9627 177.5811 15 N 4.4142 7.4481 117.4340 51.9876 39.4606 173.1938 16 P 2.9700 0.0000 0.0000 64.5487 32.7853 176.4578 17 I 4.8423 7.5185 119.8701 59.4605 41.0313 174.2863 18 L 5.3471 9.4165 129.1247 53.1955 45.9242 174.8666 19 L 5.0806 9.1232 126.7486 53.7510 45.7886 174.3319 20 Y 4.9085 9.5554 125.2617 57.1273 39.6126 174.6759 21 M 5.0292 8.7984 122.4909 54.4077 35.2889 172.6194 22 K 4.4681 8.7598 120.2076 55.1101 33.7056 178.1495 23 G 4.4841 8.3225 120.3860 44.3537 0.0000 172.8627 24 S 4.3998 7.5359 117.4718 57.6755 64.3727 174.0636 25 P 4.2875 0.0000 0.0000 65.5901 31.3180 178.0224 26 K 4.0249 7.9943 115.9226 59.3862 32.8563 176.9265 27 L 4.2764 7.8463 122.5628 53.3191 43.8826 173.8143 28 P 4.7408 0.0000 0.0000 62.6414 31.2633 176.9124 29 S 4.4900 7.5752 109.1375 58.0886 63.7953 176.1353 30 C 4.5815 8.1663 120.0833 57.4664 30.5941 172.1749 31 G 4.0365 6.9658 118.1703 44.7930 0.0000 174.2649 32 F 4.1434 9.1114 119.4823 60.1552 39.0126 177.2286 33 S 4.1983 8.5152 113.3519 61.2128 62.0866 176.1131 34 A 3.8901 7.3306 123.0202 55.5020 18.3988 179.1667 35 Q 4.0572 8.0797 115.1288 58.9954 28.9695 178.4081 36 A 3.9444 7.8009 122.5254 54.8082 18.6862 179.5299 37 V 3.4465 8.4626 118.3541 65.2232 31.1645 178.6762 38 Q 3.9302 7.9421 117.6476 58.6176 28.6478 178.3664 39 A 2.8303 7.0932 120.8589 54.5636 18.2066 179.3173 40 L 3.7983 7.8117 118.4741 58.4561 41.9861 179.1726 41 A 4.2437 7.9015 118.6066 54.9500 18.3322 179.3174 42 A 4.1674 7.8286 118.7967 55.6027 18.6368 179.4510 43 C 4.4485 8.8361 114.2995 64.1749 28.9145 174.4115 44 G 4.3015 8.6142 112.4855 45.4194 0.0000 171.0027 45 E 4.7548 8.6187 123.4991 55.3564 31.0138 175.7963 46 R 4.0627 8.4075 118.6917 57.3209 30.2892 175.5013 47 F 5.1382 7.5626 112.7354 55.6090 41.2994 173.1948 48 A 4.9076 9.0983 121.9859 50.9599 20.9242 175.8496 49 Y 5.3090 8.1385 117.4572 55.4294 41.6867 174.5538 50 V 4.1444 8.8316 121.7167 60.6532 34.4879 174.2468 51 D 5.1378 8.5754 128.0403 53.7232 39.5463 175.5637 52 I 4.5784 8.9704 113.1772 62.0955 42.5046 177.1234 53 L 4.2728 8.2612 120.9404 56.5964 41.8651 177.5055 54 Q 4.2233 7.5961 117.8211 57.7847 29.8825 175.5577 55 N 4.5902 7.9180 116.9179 52.2038 38.8573 173.9086 56 P 4.3056 0.0000 0.0000 65.6769 31.9228 178.2770 57 D 4.5215 8.0084 117.0202 57.6696 40.5697 178.7971 58 I 3.8595 7.7709 119.7662 64.3555 36.9192 178.2407 59 R 4.1024 8.0665 118.7169 59.0510 29.8701 177.9861 60 A 4.3897 7.6570 119.0590 54.6295 19.1112 179.0441 61 E 4.1354 8.0545 116.3581 59.4417 30.0625 178.8140 62 L 4.3338 7.6083 120.2744 57.8507 42.1252 177.1610 63 P 3.7550 0.0000 0.0000 65.8772 30.7907 178.4681 64 K 4.0553 7.5663 116.3182 59.0367 31.9480 178.5466 65 Y 4.3865 7.6866 116.9774 60.0745 37.9304 178.1722 66 A 4.0488 7.2614 121.0612 52.8419 18.8933 176.1239 67 N 4.2954 7.9612 119.1895 54.1961 44.8682 175.3022 68 W 4.1361 8.8279 116.7632 56.1972 29.7037 174.5638 69 P 4.5389 0.0000 0.0000 65.5617 32.0233 176.5243 70 T 4.6989 7.1064 108.6835 60.9141 69.2816 174.9118 71 F 4.7345 8.7543 119.8947 55.0512 42.7852 171.6927 72 P 5.3163 0.0000 0.0000 63.5771 32.6606 175.4836 73 Q 4.3717 8.6283 118.6976 54.3967 33.3788 173.2977 74 L 4.8559 7.7759 124.5836 53.5902 44.3063 175.0675 75 W 5.1500 9.7191 125.6973 54.8584 32.6978 174.2850 76 V 4.4811 9.1685 125.1703 61.4534 33.1838 175.0464 77 D 4.8111 9.6551 127.2420 55.3931 40.1301 173.3778 78 G 4.0964 8.6550 101.8884 46.1107 0.0000 173.7951 79 E 4.9585 8.5924 118.8530 53.5949 32.5484 175.5446 80 L 3.0142 7.9448 125.4914 54.7761 42.6729 175.5539 81 V 3.9339 9.7840 125.1515 64.8730 32.9874 174.3122 82 G 3.1718 7.0553 105.9458 43.7193 0.0000 173.5695 83 G 4.0485 7.6584 114.9317 47.4360 0.0000 174.7395 84 C 4.3842 7.3951 116.3405 59.9203 30.9694 175.4686 85 D 4.6500 8.0379 119.8141 56.1726 40.8745 178.7411 86 I 3.7235 7.8376 119.8981 64.4204 37.1314 178.3202 87 V 3.5662 7.7354 118.2918 66.0852 31.3568 177.8728 88 I 3.7526 7.2134 119.8072 64.3572 36.9972 177.9895 89 E 3.9591 8.5704 120.3347 59.8395 29.4923 178.8667 90 M 4.2567 8.4865 118.9687 58.1962 31.6817 178.0913 91 Y 4.1715 8.3040 119.6668 61.0341 39.0737 178.0439 92 Q 3.7604 8.0781 117.3847 58.9400 28.8730 178.6828 93 R 4.0120 8.2362 118.5851 57.4886 30.4422 177.5468 94 G 4.0991 8.4960 107.2906 45.8633 0.0000 175.3484 95 E 4.0020 8.0346 118.6738 59.0324 29.3042 178.8891 96 L 3.9599 7.8952 120.3553 58.2987 42.2652 178.9784 97 Q 4.3110 8.1167 116.8755 59.1362 28.3732 178.2994 98 Q 4.0031 7.9349 120.1633 58.8617 28.6821 178.7155 99 L 4.0146 8.1087 119.9405 57.8418 41.6417 179.5542 100 I 3.7429 8.2455 120.1394 64.1908 37.0473 178.1819 101 K 4.2248 8.7545 121.2246 59.7204 31.9581 178.3439 102 E 3.9607 8.0028 119.1104 59.5676 29.5616 178.8852 103 T 3.9474 8.2702 115.6952 66.6331 68.5112 176.5186 104 A 4.1234 9.0102 123.5685 55.1720 18.2194 179.4712 105 A 4.6680 8.5388 120.0670 54.8165 18.5625 179.7497 106 K 4.0495 8.1500 116.3448 60.0544 32.7291 178.8848 107 Y 4.2129 8.0972 117.2322 61.8681 38.5505 175.5964 108 K 4.7192 8.8531 122.2921 55.9025 33.2571 175.5391 109 S 4.4953 8.2998 118.7319 59.3802 64.7820 174.2858 110 E 4.4107 8.5329 115.1834 55.9014 27.9295 177.4905 111 E 3.9635 7.9877 117.8936 56.6802 30.3418 176.7762 112 P 4.7816 0.0000 0.0000 61.9114 31.3375 176.3682 113 D 4.3655 7.9410 118.9640 59.1320 41.6235 178.7725 114 A 4.4371 7.9245 121.0768 53.9852 19.0768 176.9817 115 E 4.3181 7.8586 119.1691 56.9004 29.5146 174.7261 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 4.43 0.00 2.01 1.87 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 2 S 8.56 4.00 0.00 3.96 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 3 T 8.55 4.12 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 1.22 0.00 0.00 4 T 7.61 4.45 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 1.27 0.00 0.00 5 I 7.78 3.70 1.84 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.85 0.54 0.00 0.00 6 E 7.77 3.84 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 2.27 2.52 0.00 7 K 7.91 3.94 0.00 2.00 1.84 0.00 1.55 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.57 7.81 8 I 8.31 3.72 2.06 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.97 1.03 0.00 0.00 9 Q 8.72 3.88 0.00 1.87 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.43 0.00 0.00 0.00 0.00 0.00 1.82 1.86 0.00 10 R 7.78 3.90 0.00 1.96 1.96 0.00 3.26 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.79 0.00 11 Q 8.11 3.95 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.63 0.00 12 I 8.11 3.60 1.59 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.48 0.32 0.00 0.00 13 A 8.03 4.22 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 14 E 7.89 4.13 0.00 2.17 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 2.48 2.30 0.00 15 N 7.45 4.41 0.00 2.71 2.73 0.00 0.00 7.10 7.77 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 16 P 0.00 2.97 0.00 1.89 1.69 0.00 3.36 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.74 0.00 17 I 7.52 4.84 1.99 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 1.26 1.07 1.02 0.00 0.00 18 L 9.42 5.35 0.00 1.75 1.65 0.86 0.22 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 19 L 9.12 5.08 0.00 1.54 1.64 0.88 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 9.56 4.91 0.00 3.30 2.38 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.80 5.03 0.00 2.03 2.13 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 2.40 2.47 0.00 22 K 8.76 4.47 0.00 1.90 1.82 0.00 1.74 0.00 0.00 2.03 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.54 7.81 23 G 8.32 4.48 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 0.00 0.00 0.00 24 S 7.54 4.40 0.00 4.09 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.29 0.00 2.04 2.13 0.00 3.69 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 2.03 2.09 0.00 26 K 7.99 4.02 0.00 1.85 1.94 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.42 7.81 27 L 7.85 4.28 0.00 1.65 1.50 0.89 0.95 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 28 P 0.00 4.74 0.00 1.80 2.07 0.00 3.79 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.88 0.00 29 S 7.58 4.49 0.00 3.65 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 0.00 30 C 8.17 4.58 0.00 3.12 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 31 G 6.97 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 0.00 0.00 0.00 32 F 9.11 4.14 0.00 3.17 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 S 8.52 4.20 0.00 4.04 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 34 A 7.33 3.89 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.08 4.06 0.00 2.28 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 36 A 7.80 3.94 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 37 V 8.46 3.45 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 0.77 0.00 0.00 1.11 0.00 0.00 38 Q 7.94 3.93 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.93 0.00 0.00 0.00 0.00 0.00 2.66 2.32 0.00 39 A 7.09 2.83 0.70 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 40 L 7.81 3.80 0.00 1.60 1.39 -0.06 1.08 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 41 A 7.90 4.24 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 42 A 7.83 4.17 1.50 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 0.00 0.00 43 C 8.84 4.45 0.00 3.23 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 44 G 8.61 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 0.00 0.00 0.00 0.00 45 E 8.62 4.75 0.00 2.09 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 2.33 2.30 0.00 46 R 8.41 4.06 0.00 1.78 1.84 0.00 3.08 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 47 F 7.56 5.14 0.00 2.96 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 48 A 9.10 4.91 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 49 Y 8.14 5.31 0.00 3.05 3.23 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 50 V 8.83 4.14 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.32 0.00 0.00 51 D 8.58 5.14 0.00 2.76 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 52 I 8.97 4.58 1.31 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.66 0.75 0.00 0.00 53 L 8.26 4.27 0.00 1.72 1.86 1.16 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 7.60 4.22 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 55 N 7.92 4.59 0.00 2.80 2.76 0.00 0.00 7.23 8.18 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 56 P 0.00 4.31 0.00 2.05 2.15 0.00 3.70 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.20 0.00 57 D 8.01 4.52 0.00 2.80 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 58 I 7.77 3.86 1.91 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 1.57 0.88 1.02 0.00 0.00 59 R 8.07 4.10 0.00 2.39 2.29 0.00 3.60 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.90 0.00 60 A 7.66 4.39 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 61 E 8.05 4.14 0.00 2.13 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 2.45 2.58 0.00 62 L 7.61 4.33 0.00 1.81 2.10 0.88 1.15 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 63 P 0.00 3.75 0.00 2.29 1.10 0.00 3.81 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 64 K 7.57 4.06 0.00 2.03 1.96 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 3.42 0.00 0.00 0.00 0.00 1.48 1.64 7.81 65 Y 7.69 4.39 0.00 3.07 3.18 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 66 A 7.26 4.05 1.10 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 67 N 7.96 4.30 0.00 2.70 3.18 0.00 0.00 6.38 6.93 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 68 W 8.83 4.14 0.00 3.11 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 69 P 0.00 4.54 0.00 2.02 2.08 0.00 3.60 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 70 T 7.11 4.70 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 1.35 0.00 0.00 71 F 8.75 4.73 0.00 3.01 3.25 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 72 P 0.00 5.32 0.00 2.15 2.28 0.00 3.91 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.01 0.00 73 Q 8.63 4.37 0.00 2.03 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.89 6.54 0.00 0.00 0.00 0.00 0.00 1.16 1.84 0.00 74 L 7.78 4.86 0.00 1.63 1.47 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 75 W 9.72 5.15 0.00 3.39 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 76 V 9.17 4.48 2.13 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 1.20 0.00 0.00 0.95 0.00 0.00 77 D 9.66 4.81 0.00 3.11 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 78 G 8.65 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 79 E 8.59 4.96 0.00 2.19 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 2.37 2.51 0.00 80 L 7.94 3.01 0.00 0.27 0.87 -0.32 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 81 V 9.78 3.93 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 0.76 0.00 0.00 0.85 0.00 0.00 82 G 7.06 3.17 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 83 G 7.66 4.05 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 0.00 0.00 0.00 84 C 7.40 4.38 0.00 3.28 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 85 D 8.04 4.65 0.00 2.78 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.84 3.72 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.18 0.97 0.00 0.00 87 V 7.74 3.57 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 0.96 0.00 0.00 0.95 0.00 0.00 88 I 7.21 3.75 2.05 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.70 1.02 0.00 0.00 89 E 8.57 3.96 0.00 2.04 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 2.33 2.38 0.00 90 M 8.49 4.26 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.56 0.00 91 Y 8.30 4.17 0.00 2.89 3.23 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 92 Q 8.08 3.76 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.83 0.00 93 R 8.24 4.01 0.00 1.84 1.99 0.00 3.32 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.80 0.00 94 G 8.50 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 95 E 8.03 4.00 0.00 2.03 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 0.00 2.40 2.37 0.00 96 L 7.90 3.96 0.00 1.74 1.72 1.03 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 97 Q 8.12 4.31 0.00 2.37 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.66 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 98 Q 7.93 4.00 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.87 0.00 0.00 0.00 0.00 0.00 2.66 2.55 0.00 99 L 8.11 4.01 0.00 1.84 1.75 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.25 3.74 1.93 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 1.63 1.25 1.04 0.00 0.00 101 K 8.75 4.22 0.00 1.97 2.02 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.69 7.81 102 E 8.00 3.96 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 2.32 2.36 0.00 103 T 8.27 3.95 4.53 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 1.70 0.00 0.00 104 A 9.01 4.12 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.54 4.67 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 0.00 106 K 8.15 4.05 0.00 1.74 1.90 0.00 1.28 0.00 0.00 0.93 0.00 0.00 2.78 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.35 1.75 7.81 107 Y 8.10 4.21 0.00 3.08 3.04 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 0.00 108 K 8.85 4.72 0.00 1.85 1.69 0.00 1.63 0.00 0.00 1.88 0.00 0.00 3.22 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.44 1.45 7.81 109 S 8.30 4.50 0.00 4.02 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 0.00 110 E 8.53 4.41 0.00 2.00 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 2.32 2.28 0.00 111 E 7.99 3.96 0.00 2.08 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 0.00 2.56 2.38 0.00 112 P 0.00 4.78 0.00 2.19 2.13 0.00 3.81 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 1.95 1.99 0.00 113 D 7.94 4.37 0.00 2.72 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 0.00 114 A 7.92 4.44 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 0.00 115 E 7.86 4.32 0.00 1.90 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 2.18 2.27 0.00