NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1925 8.3044 120.3213 55.4381 32.1617 173.1649 2 L 3.1342 8.4853 127.3622 54.2278 39.7535 171.7144 3 S 4.2884 8.8719 120.4009 57.0183 65.5743 174.3633 4 Q 4.0250 8.3700 131.2100 54.6298 28.3348 175.3023 5 A 4.5447 7.2608 120.7561 50.9665 20.8466 178.6227 6 N 4.6702 8.9118 117.3314 56.7015 38.4876 177.6679 7 E 3.9983 8.1756 118.3866 59.5672 29.5652 178.8685 8 D 4.2306 7.8881 119.7802 56.8750 40.5543 178.5277 9 F 4.1877 7.7972 118.0550 60.6205 38.9774 177.7634 10 K 3.9566 7.9582 118.3134 59.7421 32.3156 178.9381 11 K 3.8799 8.4834 121.2860 59.4135 31.8532 178.6897 12 I 3.6894 7.7874 119.2981 64.4611 37.0896 178.2871 13 V 3.7857 7.2570 117.7507 65.9996 31.5359 177.3757 14 N 4.7015 8.3171 113.9307 54.5042 38.6060 175.9169 15 N 4.9969 7.7921 117.5199 52.0040 40.1806 174.4879 16 I 4.6827 7.3752 120.9164 60.3420 38.2765 175.5274 17 R 4.7088 8.3463 123.9074 54.2550 33.1562 175.2288 18 L 3.5538 8.1482 120.6332 55.6573 40.4993 177.0617 19 K 4.2614 7.4267 118.2461 58.2511 34.7955 176.7374 20 D 4.3968 8.2172 116.5935 56.8836 41.2585 176.2894 21 T 4.7596 8.3283 114.9796 64.5136 71.3568 175.0983 22 F 5.9266 7.6650 115.6568 55.5389 41.5969 173.1053 23 D 4.9296 9.0589 123.9067 53.0448 41.7931 175.4444 24 F 5.9275 8.7354 121.2645 55.6220 40.2665 174.9870 25 K 4.6246 8.5564 119.3133 55.1828 35.7576 174.5162 26 L 4.9186 8.8156 126.8048 53.7370 42.9025 177.5463 27 A 3.9415 8.8097 126.3795 55.2667 18.4128 178.7475 28 A 4.1241 7.8687 116.0170 53.1074 19.0641 177.6603 29 F 4.8839 7.5864 114.7753 54.7368 39.0315 173.1158 30 P 4.5016 0.0000 0.0000 64.4427 31.8817 177.5563 31 N 5.0390 7.8610 116.6310 52.5029 39.2855 174.8079 32 Q 4.0880 8.0898 115.3477 56.2051 29.6996 175.3568 33 N 4.5324 8.2263 116.6319 51.3211 41.1901 174.9507 34 Y 4.4344 7.8152 122.6188 59.0530 38.1840 177.0380 35 D 4.9660 7.4346 119.4157 53.4375 39.7877 176.3094 36 Q 4.4990 8.1171 115.6316 57.2666 33.0677 175.6814 37 L 3.9148 7.8759 118.5131 54.4056 42.2577 177.3978 38 L 4.2338 8.3268 123.9026 53.5718 43.6509 175.7780 39 P 3.7629 0.0000 0.0000 66.5908 30.7398 178.7036 40 S 4.1175 8.0292 112.0407 60.5615 62.3063 175.8189 41 Q 4.2342 7.9419 120.4570 58.8187 28.6126 178.2483 42 I 3.6804 7.6819 120.8799 64.5235 37.0338 177.7238 43 Y 4.1777 7.8603 120.2246 60.6090 38.2717 178.0040 44 K 4.3012 7.8156 117.4619 58.0020 32.3720 177.5227 45 N 4.9992 8.2338 116.5214 53.2520 39.2892 175.9759 46 Y 4.2406 8.2195 119.3492 60.0380 37.9686 177.1852 47 Y 4.0051 7.5328 119.7584 59.7549 39.2078 176.8858 48 Q 3.9892 7.8585 118.0967 56.9951 29.5773 175.2001 49 G 4.0077 6.8042 105.2963 43.4132 0.0000 172.5792 50 I 5.2890 7.9973 123.0285 59.4792 40.9262 174.4492 51 E 4.6356 9.5386 127.1777 55.1762 31.4935 175.1359 52 I 4.8791 8.4323 124.7957 59.7271 39.3339 175.0183 53 Q 4.5492 8.9827 130.4786 54.7638 29.6605 175.0847 54 Q 4.6595 8.7129 125.1188 56.8143 29.3210 175.2336 55 H 4.8590 8.7926 116.4058 56.2308 33.4539 173.0791 56 K 4.7345 7.7286 115.6863 54.8155 34.7507 176.8765 57 Y 4.4241 8.4806 115.2221 59.2621 33.5944 176.9779 58 Q 4.7105 7.8714 119.1491 56.7516 29.6566 177.8257 59 N 4.5467 8.0874 114.7223 54.8076 38.7371 174.9406 60 E 4.6492 8.4306 119.6704 56.8388 31.9024 175.6760 61 L 4.9672 7.5592 116.9699 53.8492 44.0612 175.0836 62 D 4.7632 8.6253 122.3081 53.3417 42.8550 175.0401 63 I 4.4050 8.2859 127.0432 60.0860 38.0716 175.3063 64 K 4.4975 8.0405 127.3876 54.4359 35.6126 175.7632 65 I 4.2121 8.3221 126.4292 61.1708 37.4418 175.8391 66 I 4.0997 8.9578 129.6068 62.9069 37.7564 175.6426 67 N 4.3309 7.2867 116.1309 52.6016 40.3551 172.0831 68 F 5.2380 8.9766 117.4391 55.7798 41.0139 175.4642 69 L 4.5359 8.5495 122.6014 53.0549 45.6114 175.2786 70 Y 5.0998 7.9786 118.0649 55.1523 39.9579 174.9772 71 P 4.5795 0.0000 0.0000 63.7534 29.8651 175.8633 72 D 4.4048 8.0303 111.4576 55.9095 38.9570 173.5911 73 G 4.2179 7.7596 104.8133 43.6865 0.0000 172.1684 74 D 4.4636 8.1868 118.4840 53.4085 41.3579 178.0726 75 F 3.5487 8.5293 117.6657 59.5938 38.3989 177.6052 76 G 3.4950 7.0008 108.0071 47.8665 0.0000 175.4970 77 S 4.0218 7.7836 115.5459 60.5822 62.2406 175.5939 78 A 3.9931 7.2569 124.6019 54.5420 17.8721 179.2979 79 N 4.3249 8.0161 114.5413 55.7779 38.3643 177.6915 80 K 4.3478 8.3043 121.7285 58.7078 32.9256 178.2865 81 N 4.6359 8.1808 117.2876 52.2635 38.2749 175.4535 82 G 4.3756 8.6930 108.7889 45.9830 0.0000 172.5247 83 T 5.2770 8.0800 107.6245 59.5472 71.5847 173.2326 84 L 5.1161 9.1212 122.9489 53.0409 46.2522 175.8904 85 K 4.8267 9.0589 122.1830 55.0671 33.5933 176.2886 86 L 4.0474 8.9056 127.7588 54.2890 42.6247 177.0236 87 S 4.6974 8.5578 120.8333 57.6621 62.4950 172.1335 88 L 5.1015 8.7368 127.4860 52.9169 43.3464 175.6687 89 M 4.5465 8.7711 121.7636 53.6711 32.8258 175.5434 90 L 5.2738 8.8727 126.2742 53.6682 42.7787 176.3761 91 T 4.5879 8.2444 121.8456 62.6258 70.2120 174.1106 92 D 4.6337 8.9179 127.3270 54.6122 41.1372 177.6423 93 K 4.2765 8.4083 124.1388 58.0643 32.2196 178.2084 94 K 4.4742 8.1642 116.5703 56.5982 33.7590 176.1267 95 N 4.7714 7.4890 114.5303 51.6194 40.6184 174.8504 96 N 4.3448 8.2049 114.8578 54.0632 38.5030 173.8397 97 Q 4.6044 7.3264 115.4887 55.6506 31.5313 174.6203 98 V 4.7623 8.0372 118.2139 60.9162 34.2638 173.7570 99 Y 4.6541 8.9865 125.8957 55.8376 41.8361 173.5092 100 Y 5.0197 7.3382 122.0325 56.0827 40.6847 175.2091 101 K 4.5071 8.9936 124.6192 54.8636 35.7589 174.9051 102 L 4.8572 8.6851 127.8122 54.2766 42.9637 176.1833 103 L 4.6437 8.5942 123.5776 52.9410 44.1184 175.9318 104 E 4.7362 8.9862 124.8237 56.2349 29.4511 176.5915 105 V 4.6131 9.0185 118.3325 59.5829 35.6342 174.6688 106 S 5.1769 8.1554 115.6789 55.9555 65.5251 172.4567 107 G 3.6705 9.0949 110.4713 46.0307 0.0000 175.6722 108 F 4.4555 7.4340 117.9163 59.2592 39.2476 174.9457 109 K 4.5920 7.7474 119.3069 55.3938 35.1873 175.4607 110 S 4.5668 8.1666 115.5119 58.3473 63.4756 174.3531 111 N 4.7829 8.3828 126.1220 50.4968 38.1477 173.8630 112 P 4.1731 0.0000 0.0000 65.4509 31.9260 178.1760 113 Y 4.7327 7.1525 113.5986 56.0620 38.1575 175.4110 114 L 4.5359 7.5595 118.1093 54.7193 42.0228 176.1953 115 E 4.5786 7.9824 121.0063 54.8580 29.3709 175.1890 116 H 4.8419 7.9022 129.5031 55.2319 30.3959 172.8277 117 H 4.5914 8.2994 116.0506 54.5461 29.2633 174.6982 118 H 4.8579 8.3600 120.2663 53.7618 30.3669 174.3350 119 H 4.3696 8.7868 121.4955 58.8936 28.7818 174.5680 120 H 4.7666 7.5182 111.2003 55.1689 30.9813 172.8361 121 H 4.4411 8.7913 118.2419 56.3567 29.7209 174.4217 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 4.19 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 2 L 8.49 3.13 0.00 1.80 1.65 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.87 4.29 0.00 3.73 3.59 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 4 Q 8.37 4.02 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 5 A 7.26 4.54 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 6 N 8.91 4.67 0.00 2.79 2.95 0.00 0.00 6.63 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 7 E 8.18 4.00 0.00 2.17 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 0.00 2.34 2.35 0.00 8 D 7.89 4.23 0.00 2.51 2.45 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 9 F 7.80 4.19 0.00 3.19 2.98 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 10 K 7.96 3.96 0.00 1.87 2.03 0.00 1.32 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.63 1.43 7.81 11 K 8.48 3.88 0.00 1.89 1.92 0.00 1.62 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.60 7.81 12 I 7.79 3.69 2.07 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.83 0.95 0.00 0.00 13 V 7.26 3.79 2.25 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 0.92 0.00 0.00 1.01 0.00 0.00 14 N 8.32 4.70 0.00 2.77 2.89 0.00 0.00 7.26 7.61 0.00 0.00 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 N 7.79 5.00 0.00 2.86 2.83 0.00 0.00 7.26 7.62 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 16 I 7.38 4.68 1.97 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 1.36 0.40 1.15 0.00 0.00 17 R 8.35 4.71 0.00 1.83 1.73 0.00 3.22 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 18 L 8.15 3.55 0.00 1.46 1.30 0.14 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.43 4.26 0.00 1.54 1.69 0.00 1.84 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.31 1.47 7.81 20 D 8.22 4.40 0.00 2.63 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 21 T 8.33 4.76 4.70 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 1.39 0.00 0.00 22 F 7.67 5.93 0.00 3.21 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 23 D 9.06 4.93 0.00 2.88 2.69 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 24 F 8.74 5.93 0.00 3.37 3.36 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 25 K 8.56 4.62 0.00 1.85 1.73 0.00 1.83 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.64 7.81 26 L 8.82 4.92 0.00 2.00 2.04 1.30 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.81 3.94 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 28 A 7.87 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 7.59 4.88 0.00 3.07 2.94 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 0.00 0.00 0.00 0.00 30 P 0.00 4.50 0.00 2.20 2.20 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 31 N 7.86 5.04 0.00 2.74 2.84 0.00 0.00 6.97 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 32 Q 8.09 4.09 0.00 2.06 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.34 6.51 0.00 0.00 0.00 0.00 0.00 2.51 2.44 0.00 33 N 8.23 4.53 0.00 2.55 2.71 0.00 0.00 6.66 7.40 0.00 0.00 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 Y 7.82 4.43 0.00 3.33 3.36 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 35 D 7.43 4.97 0.00 2.70 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 36 Q 8.12 4.50 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 37 L 7.88 3.91 0.00 1.65 1.52 0.09 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.33 4.23 0.00 1.66 1.58 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 3.76 0.00 2.32 2.19 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 40 S 8.03 4.12 0.00 3.93 3.97 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 0.00 0.00 0.00 41 Q 7.94 4.23 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.77 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 42 I 7.68 3.68 1.41 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.58 0.40 0.00 0.00 43 Y 7.86 4.18 0.00 2.85 3.05 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 44 K 7.82 4.30 0.00 2.02 1.96 0.00 1.84 0.00 0.00 1.86 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.92 1.74 7.81 45 N 8.23 5.00 0.00 3.07 2.99 0.00 0.00 7.10 8.27 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 46 Y 8.22 4.24 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 47 Y 7.53 4.01 0.00 2.36 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 48 Q 7.86 3.99 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.66 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 49 G 6.80 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 50 I 8.00 5.29 1.98 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.86 1.20 0.00 0.00 51 E 9.54 4.64 0.00 1.97 1.94 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 0.00 2.48 2.48 0.00 52 I 8.43 4.88 1.93 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.01 1.00 0.00 0.00 53 Q 8.98 4.55 0.00 2.32 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.00 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 54 Q 8.71 4.66 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.67 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 55 H 8.79 4.86 0.00 3.20 3.48 0.00 5.93 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 7.73 4.73 0.00 2.16 1.90 0.00 1.85 0.00 0.00 1.77 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.53 7.81 57 Y 8.48 4.42 0.00 3.02 2.98 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 58 Q 7.87 4.71 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.92 0.00 0.00 0.00 0.00 0.00 2.70 2.33 0.00 59 N 8.09 4.55 0.00 2.69 2.86 0.00 0.00 6.65 7.57 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 60 E 8.43 4.65 0.00 2.30 2.25 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 2.51 2.38 0.00 61 L 7.56 4.97 0.00 1.68 1.72 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.63 4.76 0.00 2.83 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.29 4.41 1.73 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 1.18 0.64 0.31 0.00 0.00 64 K 8.04 4.50 0.00 1.78 1.61 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.39 7.81 65 I 8.32 4.21 1.79 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 1.15 0.35 0.48 0.00 0.00 66 I 8.96 4.10 1.90 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 1.33 0.60 0.94 0.00 0.00 67 N 7.29 4.33 0.00 2.79 3.06 0.00 0.00 5.91 8.09 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 68 F 8.98 5.24 0.00 2.93 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 L 8.55 4.54 0.00 1.57 1.45 0.92 0.68 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 70 Y 7.98 5.10 0.00 2.87 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 71 P 0.00 4.58 0.00 2.21 2.16 0.00 4.07 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 72 D 8.03 4.40 0.00 2.82 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 73 G 7.76 4.22 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 0.00 74 D 8.19 4.46 0.00 2.53 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 0.00 0.00 0.00 75 F 8.53 3.55 0.00 3.08 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 76 G 7.00 3.50 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 0.00 77 S 7.78 4.02 0.00 3.77 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 78 A 7.26 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.02 4.32 0.00 2.82 2.85 0.00 0.00 6.86 7.50 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 80 K 8.30 4.35 0.00 2.02 1.89 0.00 1.55 0.00 0.00 1.57 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.27 7.81 81 N 8.18 4.64 0.00 2.95 3.10 0.00 0.00 6.23 7.33 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 82 G 8.69 4.38 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 0.00 83 T 8.08 5.28 4.43 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 1.36 0.00 0.00 84 L 9.12 5.12 0.00 1.75 1.64 0.18 0.78 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 85 K 9.06 4.83 0.00 1.80 1.77 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.65 1.47 7.81 86 L 8.91 4.05 0.00 1.64 1.64 1.06 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.56 4.70 0.00 3.88 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 88 L 8.74 5.10 0.00 1.62 1.43 0.87 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 89 M 8.77 4.55 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 90 L 8.87 5.27 0.00 1.61 1.68 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.24 4.59 4.20 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 1.23 0.00 0.00 92 D 8.92 4.63 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 93 K 8.41 4.28 0.00 1.57 1.86 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.57 7.81 94 K 8.16 4.47 0.00 1.78 1.85 0.00 1.45 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.22 1.32 7.81 95 N 7.49 4.77 0.00 2.78 2.78 0.00 0.00 7.00 6.82 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 96 N 8.20 4.34 0.00 2.85 2.89 0.00 0.00 7.16 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 97 Q 7.33 4.60 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.53 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 98 V 8.04 4.76 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 0.52 0.00 0.00 0.46 0.00 0.00 99 Y 8.99 4.65 0.00 2.94 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 0.00 100 Y 7.34 5.02 0.00 2.61 2.67 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 0.00 0.00 0.00 0.00 101 K 8.99 4.51 0.00 1.95 1.65 0.00 1.76 0.00 0.00 1.95 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.58 1.52 7.81 102 L 8.69 4.86 0.00 1.59 1.60 0.91 0.96 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 0.00 103 L 8.59 4.64 0.00 1.67 1.65 1.13 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.99 4.74 0.00 1.88 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 2.35 2.45 0.00 105 V 9.02 4.61 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 1.31 0.00 0.00 106 S 8.16 5.18 0.00 3.84 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 0.00 107 G 9.09 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 F 7.43 4.46 0.00 3.12 3.30 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 0.00 109 K 7.75 4.59 0.00 1.84 1.65 0.00 1.65 0.00 0.00 1.88 0.00 0.00 3.30 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.49 7.81 110 S 8.17 4.57 0.00 3.95 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 0.00 111 N 8.38 4.78 0.00 2.87 2.67 0.00 0.00 6.65 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 0.00 112 P 0.00 4.17 0.00 2.29 2.20 0.00 3.45 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 1.67 1.94 0.00 113 Y 7.15 4.73 0.00 3.04 3.05 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 0.00 114 L 7.56 4.54 0.00 1.47 1.62 0.74 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 115 E 7.98 4.58 0.00 2.02 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.17 0.00 116 H 7.90 4.84 0.00 3.01 3.13 0.00 5.97 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.30 4.59 0.00 3.16 3.17 0.00 5.67 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 H 8.36 4.86 0.00 3.16 3.17 0.00 5.53 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 H 8.79 4.37 0.00 3.18 3.46 0.00 5.76 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 H 7.52 4.77 0.00 3.27 3.31 0.00 5.51 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 H 8.79 4.44 0.00 3.12 3.26 0.00 5.95 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