NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2678 8.3144 119.9989 55.9875 33.7958 174.8380 2 E 3.8164 8.3807 119.9753 54.7126 30.1284 174.9518 3 T 4.1198 8.7180 118.1302 61.1922 72.1275 174.9917 4 A 4.0106 8.5766 123.7026 55.4663 18.4555 179.9969 5 A 4.2395 8.2684 119.8089 54.8324 18.5076 179.6084 6 A 4.0406 8.1712 119.3697 55.0044 18.4257 179.8212 7 K 4.1440 8.3040 119.7819 58.9468 32.1882 178.7476 8 F 4.0613 8.4360 121.0462 61.5197 39.4161 176.9698 9 E 4.0055 8.3558 118.0485 59.4738 29.0202 179.4273 10 R 3.9200 7.9683 117.9250 59.4353 30.2244 178.2495 11 Q 3.9243 8.3845 117.3511 57.9529 29.0243 176.4811 12 H 4.4774 7.9778 113.8490 54.0080 30.8118 172.9414 13 M 4.7325 7.6077 119.5121 54.1228 33.6831 176.2012 14 D 4.8319 8.8388 121.8563 52.9045 41.1301 176.1783 15 S 4.5857 8.2289 114.8621 59.7512 63.5629 175.8928 16 S 4.4209 7.9334 114.5936 59.5297 63.3566 174.1074 17 T 4.7595 7.5429 110.0420 59.9393 71.5414 173.7186 18 S 4.3466 8.3688 115.7571 59.2035 63.9578 173.2706 19 A 3.5762 6.8810 121.3597 51.2263 21.2787 174.9847 20 A 3.4465 7.5057 123.7950 51.9192 18.6494 178.0720 21 S 4.5356 8.4701 116.6704 58.2799 64.1853 173.5982 22 S 4.5964 7.3525 114.8138 57.3875 65.0360 175.8698 23 S 4.2163 8.6789 115.5145 61.1966 62.8034 174.9091 24 N 4.6605 7.8755 115.9078 53.7325 38.9620 175.9974 25 Y 3.9525 8.1725 120.7947 61.0993 38.7431 177.3932 26 C 4.1719 8.2548 116.5589 60.1939 36.1573 175.6959 27 N 4.4211 8.3197 117.2881 56.7153 38.0878 177.0460 28 Q 3.9390 8.0664 118.9414 59.5117 28.8306 179.1428 29 M 3.8031 7.7228 121.0955 57.7746 31.6796 178.8295 30 M 4.0102 8.3226 119.3918 58.1246 32.0765 178.7818 31 K 4.0320 7.9795 121.4308 59.0255 32.0527 179.1431 32 S 4.2185 8.3844 114.5070 60.6182 62.7607 175.4400 33 R 4.3866 7.8399 119.7661 55.3311 30.4909 175.9123 34 N 4.3299 8.0090 115.8376 54.5027 36.3082 175.6305 35 L 4.3908 8.2988 118.2366 55.6900 41.8659 178.1191 36 T 5.3636 7.5339 107.4437 60.4045 69.6696 175.9841 37 K 4.0176 7.7659 121.6380 59.9091 32.1265 177.6846 38 D 4.6701 7.8721 115.5881 55.3234 42.2044 176.3216 39 R 3.8921 7.3189 112.9724 55.4842 31.4613 174.1766 40 C 4.7875 8.7578 116.6715 55.4921 40.2892 173.9088 41 K 4.2257 8.3870 127.8610 55.5793 32.4765 174.7315 42 P 4.7877 0.0000 0.0000 65.8104 32.0853 176.5602 43 V 5.0931 7.5918 110.4535 59.7275 35.9514 174.1499 44 N 4.7736 9.0030 120.1456 52.8427 42.7503 173.1734 45 T 4.8564 7.8360 119.7953 61.6017 72.3538 172.6878 46 F 4.7689 8.9534 124.1290 55.5695 42.2543 174.6359 47 V 4.4589 8.7897 123.2603 61.0641 33.1847 175.8156 48 H 5.3191 8.6231 130.5024 53.7829 26.3448 173.4805 49 E 4.7833 7.6049 119.4039 53.4376 34.7617 175.4495 50 S 4.4443 8.3880 114.7995 58.2081 65.0245 174.8904 51 L 3.9822 7.9782 123.8929 58.5182 41.9139 179.3517 52 A 4.4085 7.9918 121.4318 54.8044 18.0217 179.1900 53 D 4.3307 7.9682 116.6147 57.3300 41.1306 178.9004 54 V 3.7916 7.7315 118.6816 66.0677 31.2236 177.9511 55 Q 3.8861 8.6441 117.9687 59.0869 28.5776 178.9558 56 A 3.9977 8.1968 121.2244 54.5933 18.2673 179.6037 57 V 3.4485 7.6255 117.0600 66.0656 31.2432 177.1519 58 C 3.7001 7.7883 115.4832 58.3227 39.8622 174.3364 59 S 4.6394 7.4987 114.2972 57.8668 63.7177 174.7064 60 Q 4.1136 7.3998 121.3733 56.1618 30.9248 176.2363 61 K 4.3289 8.0160 128.1634 56.7635 33.1248 176.6979 62 N 4.6396 8.9233 127.0619 54.0090 39.5989 174.2159 63 V 4.4881 8.0749 122.3912 60.2868 35.1907 173.1234 64 A 4.2570 8.4505 126.4539 52.1203 19.1048 178.3591 65 C 4.6395 8.9348 120.5882 56.2880 41.1376 175.0066 66 K 3.7540 9.1285 121.8208 59.9450 31.5622 178.1378 67 N 4.5611 8.0307 112.2001 53.0273 37.5073 175.5517 68 G 3.9819 8.5887 108.9013 45.5601 0.0000 174.5232 69 Q 4.0842 8.1110 119.0471 56.7525 29.1571 177.0345 70 T 4.3743 8.3549 109.6994 61.6889 69.3091 174.4216 71 N 5.0146 7.7794 119.4308 53.5256 38.4276 174.8423 72 C 5.2792 7.3352 115.7118 56.7926 43.8901 172.8925 73 Y 5.1303 8.7596 118.3226 56.4748 42.3257 173.7644 74 Q 5.1732 9.1226 125.2472 53.9959 31.2433 174.9959 75 S 4.4229 8.6492 121.7101 58.8907 63.1184 174.3937 76 Y 4.5290 9.3450 121.0487 60.5474 37.9534 176.5604 77 S 4.9190 7.8483 113.9926 56.6543 65.2169 173.8133 78 T 4.2265 8.0671 112.7419 62.0739 69.9079 173.5387 79 M 5.0498 9.0018 121.7781 53.3731 36.8877 174.7103 80 S 4.6740 9.4234 117.7367 58.3820 63.5667 173.0785 81 I 5.2489 8.9674 120.2683 59.4943 41.6207 174.1558 82 T 5.0805 9.0272 119.5743 61.8774 71.7175 172.4816 83 D 5.1843 9.3180 126.2280 52.7552 43.8177 174.1726 84 C 5.6434 9.3274 122.6970 55.3496 39.1267 173.3003 85 R 5.2661 8.8702 121.1601 54.3432 34.2243 174.6980 86 E 4.1624 8.8487 123.4385 57.0770 30.4269 177.2480 87 T 4.2180 8.5812 119.7926 62.8254 69.6587 176.4077 88 G 3.6266 8.6712 111.9405 48.5942 0.0000 175.1436 89 S 4.2754 7.8564 114.0481 59.6505 63.3728 174.4816 90 S 4.1009 7.3947 116.0747 58.2062 62.4967 173.6129 91 K 4.3155 8.8658 128.7364 55.1982 34.4176 174.2101 92 Y 4.1272 8.7966 127.6141 57.8574 38.8544 174.4121 93 P 3.0753 0.0000 0.0000 63.2345 32.3605 176.8538 94 N 4.5832 7.9381 119.7840 52.3747 36.9259 173.0644 95 C 4.6979 7.8385 117.2324 56.5055 40.3937 173.2697 96 A 5.0010 8.5310 124.7404 50.6284 22.3715 174.6385 97 Y 5.2068 9.7261 118.3906 56.0581 42.3529 174.8178 98 K 4.4884 9.4344 123.9292 55.7419 33.9161 175.2673 99 T 5.0486 8.5887 124.1979 62.6188 70.2494 174.2438 100 T 4.6784 8.9131 122.6232 61.8735 72.1397 173.4788 101 Q 4.7859 8.7779 124.6883 55.6986 30.3213 174.6900 102 A 4.5608 8.5211 121.8945 51.4181 23.5742 175.3882 103 N 5.3022 8.6888 115.6972 51.6769 41.2157 174.0353 104 K 4.7677 8.7247 122.0244 54.6318 37.6021 175.7451 105 H 4.8333 8.8306 118.3444 55.8775 30.1552 174.6678 106 I 4.9242 8.5392 114.5006 59.2440 40.8991 174.3791 107 I 4.9007 8.1725 124.1849 59.7433 40.1264 175.0795 108 V 4.7657 8.5816 119.2296 59.3823 36.1874 174.3217 109 A 5.1835 8.6966 124.2741 50.7187 21.2020 175.4789 110 C 5.1975 8.7513 118.1349 55.4128 42.6625 173.3333 111 E 4.8046 8.9560 119.7139 56.4285 34.5270 175.9010 112 G 3.9188 10.2689 107.9563 44.8811 0.0000 171.9631 113 N 4.9082 8.1441 117.3647 51.4597 40.0232 172.7197 114 P 4.2989 0.0000 0.0000 62.8345 32.0126 175.9377 115 Y 5.0292 8.2760 122.4041 56.5285 38.9711 174.6572 116 V 4.4302 8.2741 119.3840 58.5562 36.8570 173.3485 117 P 4.4331 0.0000 0.0000 62.9538 31.7272 177.5309 118 V 4.6297 8.7260 114.2971 61.0397 34.0469 175.1691 119 H 5.0623 7.8517 119.9703 54.8027 33.5356 171.7702 120 F 4.5484 8.8235 128.0649 57.6043 39.1836 174.3577 121 D 4.5366 8.2657 127.0215 56.1626 41.8844 175.9459 122 A 4.5928 6.5507 117.0327 51.4200 22.4656 174.7870 123 S 5.2227 8.8839 113.7747 56.7616 65.4207 174.6848 124 V 4.1536 9.0318 115.9418 61.7176 32.1985 175.0735 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 K 8.31 4.27 0.00 1.89 1.91 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.45 7.81 2 E 8.38 3.82 0.00 2.11 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 2.40 2.38 0.00 3 T 8.72 4.12 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 1.23 0.00 0.00 4 A 8.58 4.01 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 5 A 8.27 4.24 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 6 A 8.17 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 7 K 8.30 4.14 0.00 2.00 2.04 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.31 7.81 8 F 8.44 4.06 0.00 3.17 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 9 E 8.36 4.01 0.00 2.28 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 2.52 2.68 0.00 10 R 7.97 3.92 0.00 1.80 2.04 0.00 3.25 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 11 Q 8.38 3.92 0.00 1.46 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.48 0.00 0.00 0.00 0.00 0.00 2.24 2.49 0.00 12 H 7.98 4.48 0.00 2.07 2.61 0.00 5.61 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.61 4.73 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.64 0.00 14 D 8.84 4.83 0.00 2.68 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 15 S 8.23 4.59 0.00 3.93 3.94 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 16 S 7.93 4.42 0.00 3.94 3.99 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 17 T 7.54 4.76 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 1.28 0.00 0.00 18 S 8.37 4.35 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.88 3.58 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 20 A 7.51 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.47 4.54 0.00 3.97 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 22 S 7.35 4.60 0.00 3.99 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 23 S 8.68 4.22 0.00 4.03 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 24 N 7.88 4.66 0.00 2.84 2.89 0.00 0.00 6.44 7.36 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 25 Y 8.17 3.95 0.00 2.98 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 26 C 8.25 4.17 0.00 3.20 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 27 N 8.32 4.42 0.00 2.90 2.93 0.00 0.00 7.05 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 28 Q 8.07 3.94 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 29 M 7.72 3.80 0.00 0.71 1.23 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.50 0.00 30 M 8.32 4.01 0.00 1.67 1.92 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 2.46 0.00 31 K 7.98 4.03 0.00 1.78 1.88 0.00 1.66 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.29 7.81 32 S 8.38 4.22 0.00 3.99 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 33 R 7.84 4.39 0.00 1.98 2.17 0.00 3.67 0.00 0.00 3.20 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.90 0.00 34 N 8.01 4.33 0.00 2.98 2.94 0.00 0.00 6.96 6.18 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 35 L 8.30 4.39 0.00 1.75 1.64 0.80 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.53 5.36 4.37 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 1.42 0.00 0.00 37 K 7.77 4.02 0.00 2.08 1.99 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.52 1.46 7.81 38 D 7.87 4.67 0.00 2.64 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 39 R 7.32 3.89 0.00 1.82 1.76 0.00 2.92 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 40 C 8.76 4.79 0.00 3.12 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 41 K 8.39 4.23 0.00 1.86 1.78 0.00 1.76 0.00 0.00 1.65 0.00 0.00 3.26 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.39 7.81 42 P 0.00 4.79 0.00 2.20 2.34 0.00 3.75 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 43 V 7.59 5.09 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 0.74 0.00 0.00 0.96 0.00 0.00 44 N 9.00 4.77 0.00 2.56 2.24 0.00 0.00 7.13 7.34 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 45 T 7.84 4.86 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 46 F 8.95 4.77 0.00 2.93 2.84 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 0.00 0.00 0.00 47 V 8.79 4.46 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 1.16 0.00 0.00 1.04 0.00 0.00 48 H 8.62 5.32 0.00 3.18 3.42 0.00 5.63 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.60 4.78 0.00 1.99 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 2.35 2.29 0.00 50 S 8.39 4.44 0.00 4.07 4.02 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 0.00 0.00 0.00 51 L 7.98 3.98 0.00 1.81 1.74 1.03 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.99 4.41 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 53 D 7.97 4.33 0.00 2.87 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.73 3.79 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 1.28 0.00 0.00 1.05 0.00 0.00 55 Q 8.64 3.89 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 56 A 8.20 4.00 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 57 V 7.63 3.45 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 1.07 0.00 0.00 0.99 0.00 0.00 58 C 7.79 3.70 0.00 2.90 2.70 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 59 S 7.50 4.64 0.00 3.90 3.81 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 60 Q 7.40 4.11 0.00 1.69 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.92 0.00 0.00 0.00 0.00 0.00 1.48 2.06 0.00 61 K 8.02 4.33 0.00 2.04 1.86 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.49 7.81 62 N 8.92 4.64 0.00 2.83 2.69 0.00 0.00 7.04 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 63 V 8.07 4.49 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 0.49 0.00 0.00 0.87 0.00 0.00 64 A 8.45 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 65 C 8.93 4.64 0.00 3.10 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 66 K 9.13 3.75 0.00 1.71 1.90 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.58 7.81 67 N 8.03 4.56 0.00 2.81 2.90 0.00 0.00 6.29 7.00 0.00 0.00 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 G 8.59 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 69 Q 8.11 4.08 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 70 T 8.35 4.37 4.19 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 1.23 0.00 0.00 71 N 7.78 5.01 0.00 3.09 3.16 0.00 0.00 6.06 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 72 C 7.34 5.28 0.00 3.00 2.84 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 0.00 0.00 0.00 73 Y 8.76 5.13 0.00 2.74 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 74 Q 9.12 5.17 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.97 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 75 S 8.65 4.42 0.00 3.95 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 Y 9.34 4.53 0.00 2.99 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 77 S 7.85 4.92 0.00 3.91 3.80 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 78 T 8.07 4.23 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 0.99 0.00 0.00 79 M 9.00 5.05 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 80 S 9.42 4.67 0.00 3.89 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.97 5.25 1.94 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 1.39 0.77 1.00 0.00 0.00 82 T 9.03 5.08 4.37 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 1.29 0.00 0.00 83 D 9.32 5.18 0.00 2.76 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 84 C 9.33 5.64 0.00 2.85 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 85 R 8.87 5.27 0.00 1.77 1.83 0.00 3.19 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 86 E 8.85 4.16 0.00 1.81 1.72 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 1.75 2.35 0.00 87 T 8.58 4.22 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 1.22 0.00 0.00 88 G 8.67 3.63 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 0.00 0.00 0.00 89 S 7.86 4.28 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 90 S 7.39 4.10 0.00 3.83 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.87 4.32 0.00 1.78 1.59 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.39 7.81 92 Y 8.80 4.13 0.00 2.98 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 93 P 0.00 3.08 0.00 1.77 1.17 0.00 3.65 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 1.75 1.74 0.00 94 N 7.94 4.58 0.00 2.84 2.75 0.00 0.00 6.95 8.51 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 95 C 7.84 4.70 0.00 3.10 3.10 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 96 A 8.53 5.00 1.07 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 97 Y 9.73 5.21 0.00 2.91 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 98 K 9.43 4.49 0.00 1.87 1.86 0.00 1.55 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.51 7.81 99 T 8.59 5.05 4.31 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 1.28 0.00 0.00 100 T 8.91 4.68 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 nan 0.00 0.00 101 Q 8.78 4.79 0.00 1.90 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 102 A 8.52 4.56 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 0.00 103 N 8.69 5.30 0.00 2.54 2.74 0.00 0.00 6.69 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 0.00 104 K 8.72 4.77 0.00 1.75 1.69 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.44 7.81 105 H 8.83 4.83 0.00 3.17 3.25 0.00 5.76 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.54 4.92 1.84 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.78 1.14 0.00 0.00 107 I 8.17 4.90 1.66 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 1.15 0.71 0.78 0.00 0.00 108 V 8.58 4.77 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 0.68 0.00 0.00 0.81 0.00 0.00 109 A 8.70 5.18 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 0.00 110 C 8.75 5.20 0.00 1.88 1.68 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 0.00 111 E 8.96 4.80 0.00 1.85 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 2.27 2.24 0.00 112 G 10.27 3.92 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 0.00 0.00 0.00 113 N 8.14 4.91 0.00 2.64 2.71 0.00 0.00 6.88 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 0.00 114 P 0.00 4.30 0.00 2.09 1.99 0.00 3.73 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 115 Y 8.28 5.03 0.00 2.78 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 0.00 116 V 8.27 4.43 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 0.67 0.00 0.00 0.92 0.00 0.00 117 P 0.00 4.43 0.00 0.49 0.93 0.00 3.22 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 1.72 1.74 0.00 118 V 8.73 4.63 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 0.59 0.00 0.00 0.97 0.00 0.00 119 H 7.85 5.06 0.00 3.28 3.12 0.00 5.85 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.82 4.55 0.00 2.66 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 0.00 121 D 8.27 4.54 0.00 2.60 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 6.55 4.59 1.15 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 0.00 0.00 123 S 8.88 5.22 0.00 3.97 4.09 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 0.00 124 V 9.03 4.15 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 0.64 0.00 0.00 0.98 0.00 0.00