NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2861 8.1749 117.3754 63.6545 69.4332 172.7472 3 I 4.2348 8.1561 126.2920 61.2953 38.8903 170.6804 4 V 4.3536 9.1680 124.1095 61.9468 34.8885 173.1504 5 I 4.9433 8.5126 128.6784 59.6527 39.5637 175.2339 6 R 4.6548 8.4230 124.4539 54.5458 32.9214 174.9319 7 T 4.0093 8.5763 118.8700 62.0087 67.8134 172.4523 8 K 4.2494 9.5106 129.4544 55.7223 33.3094 175.4100 9 K 4.4971 7.6678 119.7551 54.7290 34.8417 174.8189 10 I 5.0408 8.3022 125.7870 59.5002 39.9391 175.1998 11 L 4.7503 9.0500 126.3665 52.8731 45.4375 175.8216 12 V 4.1668 8.2512 120.1847 61.4893 33.4427 174.7597 13 N 4.7212 8.9448 129.3212 51.5346 39.0931 173.6522 14 P 4.5146 0.0000 0.0000 64.7989 32.1063 179.0718 15 L 4.0079 8.1701 117.7026 57.8704 41.4837 178.0365 16 L 4.9676 9.3633 116.1266 53.8524 40.6573 177.1287 17 S 3.5029 7.5925 112.8635 57.5276 61.4335 170.8556 18 R 4.5234 8.1727 122.7386 56.4101 33.5243 174.1519 19 R 4.8906 8.4540 116.5486 54.4997 32.3659 174.3383 20 Q 5.1515 8.5349 122.0267 54.1903 30.9838 174.6652 21 L 5.6096 8.1910 122.2591 53.4475 44.4939 175.4867 22 S 4.4936 8.2406 116.4292 57.7190 64.8686 173.0043 23 L 5.0060 9.2970 123.7722 53.1911 45.5176 175.6038 24 D 5.2945 8.8414 121.7498 52.3948 43.5460 174.3188 25 V 4.1110 8.8923 124.1598 62.5068 33.1801 174.6615 26 L 4.8971 9.0522 128.3890 53.0568 43.1178 176.4093 27 H 4.9953 9.1931 123.5470 53.9646 28.8832 170.5644 28 P 4.1832 0.0000 0.0000 65.1480 29.5827 173.0420 29 D 4.8554 7.8260 129.3074 54.7250 38.5619 177.7920 30 S 4.3356 7.5414 116.8619 57.3526 64.0337 172.4589 31 P 4.6017 0.0000 0.0000 61.7335 32.3300 175.6028 32 T 3.5037 8.3590 113.6287 63.7893 68.6972 174.0277 33 A 4.0685 8.0077 128.1392 51.7174 19.4149 177.7677 34 S 4.2781 8.3840 116.8843 57.6002 64.7713 175.3378 35 K 3.5959 8.5348 126.0542 59.7271 32.0058 178.3527 36 E 3.9010 8.1930 117.8887 59.7322 29.2981 179.4044 37 K 4.0303 7.7790 119.2311 59.5992 32.0986 178.9495 38 I 3.7462 7.8372 120.1948 63.9531 36.9725 178.1876 39 R 3.8948 8.1226 120.1732 59.5739 29.8659 178.2926 40 E 4.1031 7.8207 116.6715 58.8835 29.6452 178.5720 41 E 4.0195 8.0303 119.1756 58.5517 29.6049 178.7592 42 L 4.0124 7.7377 120.6989 58.1681 42.2979 178.4184 43 A 4.0308 7.8796 120.5164 55.2935 17.9193 179.8729 44 K 3.9207 7.8636 116.2166 59.8278 32.2551 179.3863 45 Q 4.1286 7.5718 115.7085 58.5880 28.6429 178.1536 46 L 4.1688 7.9414 118.9797 54.4405 42.9195 176.5313 47 K 3.8034 8.5514 116.2463 57.3399 29.0570 175.7744 48 V 4.4803 7.2096 115.9171 60.3705 35.2575 174.0186 49 D 4.3857 8.7428 123.3886 54.7132 41.7966 177.4500 50 A 4.0206 8.8021 128.8604 55.4068 18.5208 179.5659 51 R 4.0995 8.3019 109.5950 57.7562 29.3193 176.8157 52 N 4.6308 7.9779 116.2920 53.3515 39.1798 174.0599 53 V 4.7689 7.7240 119.3655 61.1881 33.2574 174.7425 54 V 4.5404 8.7572 129.0593 61.0104 33.6561 174.5069 55 V 4.8236 8.5185 127.4647 60.1475 33.5145 174.2565 56 Y 4.9899 8.4662 121.0434 55.1656 42.6728 174.3837 57 G 3.9923 9.2318 103.0585 46.7988 0.0000 172.1972 58 F 5.7486 8.7971 121.6878 54.9111 43.6610 173.7714 59 S 4.7280 8.3677 113.1042 58.6093 66.3143 173.4664 60 T 4.6371 8.5405 115.2845 63.0080 70.7589 173.6398 61 Q 3.9967 8.7047 125.4840 56.5371 29.1498 175.2978 62 Y 4.1786 9.2499 124.2893 57.8101 38.1148 175.6959 63 G 3.6715 8.6278 108.7097 46.5494 0.0000 171.1226 64 G 3.8724 8.4289 110.1769 45.1876 0.0000 172.1474 65 G 3.6914 8.2125 108.2049 45.4499 0.0000 172.6696 66 K 5.1219 7.6861 118.3089 54.3435 35.8022 175.2442 67 S 5.1713 9.0525 119.9431 57.2020 66.7633 173.2176 68 T 5.0191 8.4919 120.7802 62.5322 70.8875 173.9967 69 G 3.6678 8.3173 110.4709 46.5391 0.0000 171.6489 70 F 5.4972 8.4668 117.5346 55.5778 42.9014 174.6400 71 A 4.8102 8.7946 122.7059 50.2353 23.5480 174.5751 72 L 5.1131 9.3353 118.4333 53.0661 45.9160 176.3053 73 V 4.7075 8.6713 123.0034 61.4413 33.6706 173.8355 74 Y 4.8676 8.7468 125.4862 56.6368 40.0754 176.0146 75 D 4.3541 8.1523 121.9842 56.5106 41.4884 176.5745 76 N 4.8698 7.7143 118.5398 51.6123 40.1339 174.9105 77 Q 3.6518 8.8543 128.2471 58.2238 28.8555 177.6129 78 Q 4.1414 8.1995 118.6105 58.2727 29.4464 176.5979 79 Y 4.1687 8.9867 118.9800 60.6019 38.5574 177.0736 80 L 2.8994 8.1551 120.7025 58.2774 41.6935 178.7850 81 L 3.9992 7.9712 118.8625 57.6316 42.0597 178.3129 82 K 4.2581 8.3375 119.4022 58.7115 32.2969 177.9760 83 Y 4.2888 8.1828 115.7605 59.6528 38.8847 175.7694 84 E 4.0216 7.2228 117.8156 55.9813 30.5667 175.7399 85 P 4.4597 0.0000 0.0000 62.1630 31.9163 177.3699 86 N 4.3534 8.9455 119.1399 56.8415 38.5011 177.1555 87 Y 4.3553 7.9244 118.3735 59.7906 38.4740 177.8470 88 R 3.9590 7.2766 119.7343 58.3820 30.0094 178.8914 89 L 4.0095 7.6584 118.8445 57.7978 41.8549 179.3626 90 R 4.0135 7.6968 116.5528 58.9958 29.6741 179.2813 91 K 4.0915 7.5493 116.9709 58.7379 32.0844 178.4219 92 V 3.9678 7.0243 115.0194 61.5452 32.3044 175.3854 93 K 3.9373 7.8225 114.8052 58.7683 29.5117 175.9764 94 I 4.2198 8.0422 119.3949 61.9213 39.8299 177.3474 95 L 4.3259 7.7690 120.2192 57.4470 43.7290 175.5837 96 G 4.1162 7.7222 101.4849 44.5621 0.0000 175.4001 97 E 4.3930 8.6927 126.0575 55.5580 30.6619 176.6378 98 K 4.6447 7.9774 117.5276 54.5771 32.2898 174.4057 99 P 4.3808 0.0000 0.0000 63.2894 32.3033 178.1215 100 N 4.5961 8.3770 118.0706 53.9046 36.4338 175.3038 101 T 3.7304 8.4803 119.2189 67.3147 68.5096 177.5415 102 R 3.1469 6.4559 115.9629 57.2371 31.4602 177.5906 103 R 3.9271 8.1626 117.1105 59.8552 30.5838 178.8775 104 S 4.1716 8.0740 112.7486 61.7597 63.2164 176.0510 105 F 4.0268 8.6523 121.8926 60.3411 38.2297 177.9409 106 K 4.1130 8.5545 117.9989 59.3712 31.6526 179.2014 107 E 4.1603 8.1328 118.6797 58.9745 29.3643 179.1441 108 L 3.9835 8.3715 119.7633 57.2881 41.5513 179.0509 109 K 3.8106 8.0094 119.7875 59.6988 31.8117 178.4418 110 R 3.9134 7.2691 115.7009 59.7060 30.3696 178.8507 111 K 4.0968 7.8378 117.4101 59.6318 32.2591 179.3509 112 I 3.6649 7.9354 120.3122 64.5558 36.9320 178.2107 113 K 4.1429 8.1827 118.3467 58.2025 31.9105 177.2080 114 R 4.6290 8.0656 117.2199 56.3450 30.6971 174.9555 115 T 4.7051 7.9349 113.7827 61.9872 72.3535 173.0012 116 S 4.7721 8.1786 116.1669 56.7645 64.4926 175.2659 117 G 4.0673 8.6488 112.3095 48.7214 0.0000 175.8126 118 K 3.9034 8.0215 117.2966 59.9525 32.3635 178.1055 119 A 4.1306 8.3708 119.1756 55.4547 18.6161 179.8147 120 I 3.5355 7.5515 118.0517 64.8595 37.0324 177.7012 121 T 3.8628 7.3262 114.9769 66.8790 68.6402 176.0554 122 K 4.0168 8.0929 119.8794 59.7261 32.2444 178.8079 123 L 3.8861 8.0045 118.2239 58.3462 41.0721 179.4408 124 L 3.9466 8.2934 119.0430 57.6649 41.5450 178.0918 125 S 4.3499 8.1621 113.9165 58.0229 64.2531 174.7449 126 E 4.5843 7.5991 118.4182 57.7501 33.4054 174.4596 127 K 4.0888 8.0722 117.7768 57.4890 33.2206 176.6586 128 K 4.4434 8.2061 121.6953 54.7761 31.8918 176.7697 129 G 4.0889 8.4389 113.5488 46.1900 0.0000 171.6894 130 D 4.7242 8.7728 113.9597 55.2494 37.3389 175.6022 131 T 4.2003 7.8201 114.4556 63.5266 70.7071 174.3175 132 W 4.3221 8.8090 131.0439 60.4385 30.7710 177.9914 133 A 3.7383 8.1739 120.4906 55.0016 17.8826 179.4683 134 S 3.9667 7.8320 111.2226 61.5144 62.6634 176.1756 135 V 3.5797 7.6879 120.9440 66.1006 31.0469 178.0911 136 Q 3.7175 7.8166 117.8252 58.9035 28.6107 178.4440 137 S 3.9058 7.6110 114.8574 61.8550 62.5513 176.8595 138 K 4.0109 7.9534 121.4446 58.8610 31.5306 179.5893 139 K 3.9864 7.7789 118.0732 59.4432 32.2936 178.8483 140 S 4.2288 8.7542 114.4062 61.7083 62.1441 175.9978 141 D 4.3939 8.2133 121.3892 57.6852 40.0961 178.3256 142 H 4.3195 8.1196 118.7062 59.0452 29.5417 177.0483 143 L 4.0820 7.6663 120.5861 57.7110 41.5467 179.2711 144 K 4.0851 7.8045 117.2497 59.7657 32.4372 179.0826 145 N 4.4210 7.8054 115.0407 54.2147 38.8357 174.7622 146 F 5.0349 6.8795 121.1404 56.3259 41.4200 174.6218 147 V 3.0962 6.8176 123.3796 61.1908 33.8628 172.2970 148 A 4.3798 9.0712 125.8939 52.4612 20.7915 177.2423 149 K 4.7070 7.8389 117.6713 57.0281 32.0098 174.9563 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 2 T 8.17 4.29 4.25 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 1.21 0.00 0.00 3 I 8.16 4.23 1.96 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 1.24 0.38 1.06 0.00 0.00 4 V 9.17 4.35 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 1.03 0.00 0.00 0.94 0.00 0.00 5 I 8.51 4.94 1.90 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 1.41 0.94 0.96 0.00 0.00 6 R 8.42 4.65 0.00 1.76 1.80 0.00 3.12 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 7 T 8.58 4.01 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 1.19 0.00 0.00 8 K 9.51 4.25 0.00 1.70 1.54 0.00 2.04 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.36 7.81 9 K 7.67 4.50 0.00 1.52 1.58 0.00 1.56 0.00 0.00 1.76 0.00 0.00 2.80 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.35 7.81 10 I 8.30 5.04 1.82 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 1.27 0.54 0.87 0.00 0.00 11 L 9.05 4.75 0.00 1.48 1.51 0.97 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.25 4.17 2.05 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 0.74 0.00 0.00 0.89 0.00 0.00 13 N 8.94 4.72 0.00 2.77 2.76 0.00 0.00 6.92 8.45 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 14 P 0.00 4.51 0.00 2.22 2.05 0.00 3.66 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 15 L 8.17 4.01 0.00 1.94 1.83 0.96 0.99 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 16 L 9.36 4.97 0.00 1.65 2.22 1.07 1.16 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 17 S 7.59 3.50 0.00 3.80 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 18 R 8.17 4.52 0.00 1.28 0.74 0.00 2.50 0.00 0.00 2.75 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.24 0.00 19 R 8.45 4.89 0.00 1.79 2.02 0.00 2.70 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.50 0.00 20 Q 8.53 5.15 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 21 L 8.19 5.61 0.00 1.56 1.61 0.88 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.24 4.49 0.00 3.68 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 23 L 9.30 5.01 0.00 1.48 1.61 1.04 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.84 5.29 0.00 2.78 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 25 V 8.89 4.11 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 1.04 0.00 0.00 1.19 0.00 0.00 26 L 9.05 4.90 0.00 1.87 1.59 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 27 H 9.19 5.00 0.00 3.22 3.45 0.00 5.30 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.18 0.00 2.18 2.17 0.00 3.88 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 29 D 7.83 4.86 0.00 2.79 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 30 S 7.54 4.34 0.00 4.02 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 31 P 0.00 4.60 0.00 2.19 2.13 0.00 3.80 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 1.96 1.97 0.00 32 T 8.36 3.50 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 1.17 0.00 0.00 33 A 8.01 4.07 1.09 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 0.00 0.00 34 S 8.38 4.28 0.00 4.00 3.95 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 35 K 8.53 3.60 0.00 1.75 1.89 0.00 1.75 0.00 0.00 1.90 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.42 7.81 36 E 8.19 3.90 0.00 1.96 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 2.38 2.36 0.00 37 K 7.78 4.03 0.00 1.73 1.75 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.46 7.81 38 I 7.84 3.75 1.86 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.78 0.98 0.00 0.00 39 R 8.12 3.89 0.00 2.02 2.05 0.00 3.07 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 40 E 7.82 4.10 0.00 2.11 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 2.30 2.30 0.00 41 E 8.03 4.02 0.00 1.99 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 2.31 2.32 0.00 42 L 7.74 4.01 0.00 1.83 1.89 0.93 0.92 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 43 A 7.88 4.03 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 44 K 7.86 3.92 0.00 1.92 1.88 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.68 7.81 45 Q 7.57 4.13 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 46 L 7.94 4.17 0.00 1.62 1.71 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.55 3.80 0.00 1.88 1.93 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.44 7.81 48 V 7.21 4.48 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 0.82 0.00 0.00 0.93 0.00 0.00 49 D 8.74 4.39 0.00 2.77 2.60 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 50 A 8.80 4.02 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 51 R 8.30 4.10 0.00 1.84 1.93 0.00 2.21 0.00 0.00 2.96 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.53 0.00 52 N 7.98 4.63 0.00 2.94 3.15 0.00 0.00 6.35 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 53 V 7.72 4.77 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 0.76 0.00 0.00 0.96 0.00 0.00 54 V 8.76 4.54 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 1.07 0.00 0.00 0.90 0.00 0.00 55 V 8.52 4.82 2.16 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 0.88 0.00 0.00 1.35 0.00 0.00 56 Y 8.47 4.99 0.00 3.07 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 57 G 9.23 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 0.00 0.00 0.00 58 F 8.80 5.75 0.00 2.92 3.02 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 59 S 8.37 4.73 0.00 3.85 3.84 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 60 T 8.54 4.64 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 61 Q 8.70 4.00 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 62 Y 9.25 4.18 0.00 2.85 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 63 G 8.63 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 64 G 8.43 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 65 G 8.21 3.69 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 0.00 0.00 0.00 66 K 7.69 5.12 0.00 1.69 1.70 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.56 7.81 67 S 9.05 5.17 0.00 4.05 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 68 T 8.49 5.02 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 1.37 0.00 0.00 69 G 8.32 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 70 F 8.47 5.50 0.00 2.89 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 71 A 8.79 4.81 1.17 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 72 L 9.34 5.11 0.00 1.81 1.80 1.37 0.45 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 73 V 8.67 4.71 2.05 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 1.04 0.00 0.00 0.93 0.00 0.00 74 Y 8.75 4.87 0.00 2.96 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 75 D 8.15 4.35 0.00 2.44 2.60 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 76 N 7.71 4.87 0.00 2.70 3.09 0.00 0.00 6.76 7.12 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 77 Q 8.85 3.65 0.00 2.51 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.71 0.00 0.00 0.00 0.00 0.00 2.58 2.34 0.00 78 Q 8.20 4.14 0.00 2.34 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 79 Y 8.99 4.17 0.00 3.16 2.92 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 80 L 8.16 2.90 0.00 1.54 1.68 0.17 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.97 4.00 0.00 1.93 1.72 0.97 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.34 4.26 0.00 1.86 2.21 0.00 2.23 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.67 1.59 7.81 83 Y 8.18 4.29 0.00 3.19 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 84 E 7.22 4.02 0.00 1.96 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 2.03 2.24 0.00 85 P 0.00 4.46 0.00 1.53 1.91 0.00 3.37 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.06 0.00 86 N 8.95 4.35 0.00 2.80 2.95 0.00 0.00 6.79 7.48 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 87 Y 7.92 4.36 0.00 3.18 3.22 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 88 R 7.28 3.96 0.00 1.74 1.86 0.00 3.08 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.50 0.00 89 L 7.66 4.01 0.00 1.81 1.66 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.70 4.01 0.00 1.94 2.29 0.00 3.21 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.94 0.00 91 K 7.55 4.09 0.00 2.03 1.91 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.59 1.72 7.81 92 V 7.02 3.97 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 0.78 0.00 0.00 0.96 0.00 0.00 93 K 7.82 3.94 0.00 1.94 1.85 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.38 7.81 94 I 8.04 4.22 1.87 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.54 0.66 0.00 0.00 95 L 7.77 4.33 0.00 1.56 1.67 0.91 1.18 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 96 G 7.72 4.12 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 0.00 0.00 0.00 97 E 8.69 4.39 0.00 1.98 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 2.31 2.24 0.00 98 K 7.98 4.64 0.00 1.78 1.77 0.00 1.62 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.35 7.81 99 P 0.00 4.38 0.00 2.21 2.11 0.00 3.86 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 2.00 2.01 0.00 100 N 8.38 4.60 0.00 2.73 2.82 0.00 0.00 6.99 7.54 0.00 0.00 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 T 8.48 3.73 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 -0.44 0.00 0.00 102 R 6.46 3.15 0.00 1.80 1.69 0.00 3.37 0.00 0.00 3.33 8.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 103 R 8.16 3.93 0.00 1.88 2.03 0.00 3.36 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 104 S 8.07 4.17 0.00 4.14 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 0.00 105 F 8.65 4.03 0.00 3.21 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 0.00 106 K 8.55 4.11 0.00 2.02 1.89 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.64 1.65 7.81 107 E 8.13 4.16 0.00 2.22 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 2.34 2.66 0.00 108 L 8.37 3.98 0.00 1.69 1.61 0.73 0.80 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 0.00 109 K 8.01 3.81 0.00 2.05 1.95 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.51 7.81 110 R 7.27 3.91 0.00 2.08 1.96 0.00 3.38 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 111 K 7.84 4.10 0.00 1.75 1.83 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.64 7.81 112 I 7.94 3.66 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.07 0.89 0.00 0.00 113 K 8.18 4.14 0.00 2.00 1.84 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.48 7.81 114 R 8.07 4.63 0.00 1.85 1.86 0.00 3.26 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 115 T 7.93 4.71 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 1.20 0.00 0.00 116 S 8.18 4.77 0.00 3.83 3.69 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 0.00 117 G 8.65 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 0.00 0.00 0.00 118 K 8.02 3.90 0.00 1.73 1.81 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.56 7.81 119 A 8.37 4.13 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.55 3.54 2.00 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 1.62 0.81 0.89 0.00 0.00 121 T 7.33 3.86 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 1.20 0.00 0.00 122 K 8.09 4.02 0.00 1.94 1.86 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.49 7.81 123 L 8.00 3.89 0.00 1.90 1.70 0.96 0.58 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 0.00 124 L 8.29 3.95 0.00 1.93 1.72 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 125 S 8.16 4.35 0.00 3.97 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 0.00 126 E 7.60 4.58 0.00 1.92 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 2.21 2.26 0.00 127 K 8.07 4.09 0.00 1.54 1.60 0.00 0.76 0.00 0.00 1.38 0.00 0.00 2.70 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.29 1.17 7.81 128 K 8.21 4.44 0.00 2.13 1.90 0.00 1.92 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.52 1.62 7.81 129 G 8.44 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 0.00 0.00 0.00 130 D 8.77 4.72 0.00 2.85 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 0.00 131 T 7.82 4.20 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 1.34 0.00 0.00 132 W 8.81 4.32 0.00 3.38 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 0.00 133 A 8.17 3.74 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 134 S 7.83 3.97 0.00 3.91 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 0.00 135 V 7.69 3.58 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 1.00 0.00 0.00 1.07 0.00 0.00 136 Q 7.82 3.72 0.00 1.88 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.50 0.00 0.00 0.00 0.00 0.00 1.47 1.31 0.00 137 S 7.61 3.91 0.00 3.98 4.08 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 0.00 0.00 0.00 138 K 7.95 4.01 0.00 2.00 1.88 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.57 7.81 139 K 7.78 3.99 0.00 1.88 1.85 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.66 7.81 140 S 8.75 4.23 0.00 3.77 4.08 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 0.00 0.00 0.00 141 D 8.21 4.39 0.00 2.89 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 0.00 142 H 8.12 4.32 0.00 3.20 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.67 4.08 0.00 1.92 1.70 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.80 4.09 0.00 1.72 1.86 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.74 7.81 145 N 7.81 4.42 0.00 2.79 2.93 0.00 0.00 6.94 7.35 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 0.00 146 F 6.88 5.03 0.00 2.83 3.03 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 0.00 0.00 0.00 147 V 6.82 3.10 1.89 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 0.56 0.00 0.00 0.71 0.00 0.00 148 A 9.07 4.38 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 0.00 149 K 7.84 4.71 0.00 2.12 2.18 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.43 7.81