NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.7027 8.0433 120.5905 54.7093 43.8725 175.1452 2 R 4.7997 9.6301 122.1686 54.0047 33.6736 173.6275 3 G 4.6143 9.5302 111.4971 45.1370 0.0000 171.9375 4 F 5.2206 9.1083 122.4018 56.1443 42.4871 173.4804 5 I 4.7534 8.0792 125.4902 59.1047 41.6280 173.7270 6 I 5.2980 7.5002 125.5836 58.6023 41.2630 174.1248 7 G 3.5028 8.3461 114.1441 45.6793 0.0000 173.0037 8 R 4.3329 8.1966 117.0781 55.8506 31.6675 176.8870 9 F 3.9476 7.4112 115.1931 59.1721 35.9589 175.8333 10 Q 5.0806 7.7357 118.3093 53.0931 29.3116 173.3293 11 P 5.4772 0.0000 0.0000 59.0587 34.4498 175.3770 12 F 4.1660 8.8675 120.1367 59.2808 39.5917 173.8258 13 H 4.9556 7.7257 120.6293 52.5176 31.9712 174.0076 14 K 3.6169 8.2611 118.9578 59.2008 31.4041 180.0056 15 G 3.6229 7.6467 105.5307 48.0301 0.0000 175.1031 16 H 4.0237 7.6902 118.8323 58.5695 28.5491 176.7772 17 L 3.8965 7.2248 121.4535 58.3194 41.9043 178.7407 18 E 3.6181 7.8511 118.3649 59.4160 29.3005 179.8206 19 V 3.9376 8.2473 119.3274 65.0022 31.2026 178.5154 20 I 3.6284 7.9580 120.3198 64.0785 36.7855 178.2210 21 K 3.7923 7.9198 118.2645 59.6779 32.0571 178.8922 22 K 4.1222 8.1226 119.5352 59.3054 32.0244 178.9903 23 I 3.3707 7.7728 120.0413 64.2109 36.8798 178.0831 24 A 4.0849 7.9771 119.4705 54.0574 18.1654 178.1451 25 E 4.4495 7.4539 116.1887 56.2381 29.7722 176.4519 26 E 4.7446 8.8359 119.3736 56.1638 32.0317 176.4426 27 V 4.6562 7.3751 115.8387 60.0382 34.4208 174.4231 28 D 4.6405 8.4628 122.0388 57.1246 41.3134 176.7723 29 E 5.0585 8.1925 115.7143 54.6289 34.6209 174.6503 30 I 5.0601 8.7412 122.7896 59.7057 40.8230 174.5420 31 I 4.7726 9.2081 128.5064 60.6183 38.8963 175.0735 32 I 4.5070 9.0092 129.1850 59.2745 38.3506 174.0998 33 G 3.9789 8.8443 115.3251 45.9782 0.0000 170.6603 34 I 4.5780 9.3166 128.6835 60.4098 37.5150 176.0993 35 G 4.1380 9.3246 115.3575 44.9067 0.0000 171.7132 36 S 4.3626 8.8485 112.6873 58.3025 60.4166 174.2676 37 A 4.1224 8.0848 123.1550 55.2057 18.7149 179.4872 38 Q 4.1834 8.0327 111.7664 57.5720 29.2981 176.0312 39 K 4.2839 8.1527 120.3704 55.6721 32.3623 176.1041 40 S 5.1150 8.1071 116.8254 57.9001 65.9845 172.5358 41 H 4.0750 8.3949 114.5142 57.3950 26.7111 175.0967 42 T 4.7382 7.2413 112.5375 61.3535 72.6556 175.3439 43 L 4.0167 8.6005 123.5208 58.1479 41.8050 178.9835 44 E 4.1253 8.0584 116.5532 58.4436 29.9920 176.5820 45 N 4.9897 7.5664 115.9749 50.1179 39.4063 172.7704 46 P 3.9546 0.0000 0.0000 64.3501 31.8609 177.4971 47 F 5.2329 6.9786 116.0617 55.8151 40.5210 176.2870 48 T 4.2520 9.0972 121.2782 62.8926 70.3013 175.8994 49 A 4.1677 8.6251 123.6700 55.4909 18.3388 180.2173 50 G 3.5413 8.0736 103.6267 47.9963 0.0000 175.3160 51 E 3.9561 8.3237 120.8885 59.4422 29.3817 179.7649 52 R 3.9497 8.2789 117.7919 59.2606 30.1426 179.1096 53 I 3.5956 8.1304 120.0679 64.1763 37.0441 178.1387 54 L 3.8819 7.8434 121.0837 58.3845 41.8683 178.9186 55 M 3.9244 7.8636 118.4038 58.4428 32.0432 178.8822 56 I 2.5703 7.5789 119.8992 64.3095 37.2219 178.5710 57 T 3.9067 7.5997 117.7919 66.1937 68.0674 176.6555 58 Q 3.9618 7.8495 118.6217 59.0747 28.7777 178.7401 59 S 4.2178 7.8534 115.2522 60.8840 63.1627 175.7818 60 L 4.2994 7.2837 119.0788 54.4369 41.4583 178.2819 61 K 4.2384 7.3908 119.0835 58.9268 32.8110 177.5724 62 D 4.4004 8.1907 121.7865 58.0843 41.0778 176.9967 *63 Y 4.3300 7.5037 117.8937 56.5836 37.7937 178.4736 64 D 4.7525 8.2186 119.8646 52.6157 38.1746 175.1114 65 L 4.6152 7.6967 124.1248 53.3127 45.3280 175.3294 66 T 4.3335 8.5488 123.3924 62.6765 69.5171 173.4228 67 Y 5.6992 7.1560 123.2574 54.4127 42.6983 174.1406 68 Y 4.2734 8.3904 116.2589 56.0467 41.6604 173.0667 69 P 5.1339 0.0000 0.0000 61.6602 32.1098 175.9491 70 I 4.6613 8.8509 126.9718 58.3341 40.4185 173.5190 71 P 4.7993 0.0000 0.0000 62.9955 32.1102 175.6942 72 I 4.6534 8.9603 126.0568 59.2168 39.9551 175.2438 73 K 4.7345 9.0946 126.4274 55.7864 33.5791 176.5931 74 D 4.7351 8.9136 123.9818 54.5850 41.6461 175.6247 75 I 4.7738 8.5709 116.4164 59.1995 40.3983 175.6743 76 E 4.5371 8.1178 122.1233 53.7795 29.0119 175.5493 77 F 4.8337 7.6152 120.5693 57.2809 41.5433 173.8624 78 N 4.4557 8.1442 122.4650 55.9784 39.0628 177.4485 79 S 4.3408 8.4244 111.5117 59.8955 62.9865 174.2566 80 I 4.3336 7.7013 112.0803 60.2923 37.8572 177.1523 81 W 4.1557 8.3130 132.9338 60.4623 30.3849 178.2734 82 V 2.8986 7.7658 118.0681 65.6483 31.0305 177.5031 83 S 4.1095 7.9858 112.4082 61.6283 61.9048 175.2359 84 Y 4.1190 7.6759 120.4942 60.9084 38.6949 178.0101 85 V 3.2571 7.5376 119.2974 65.9532 31.6715 177.8533 86 E 3.9298 8.5303 118.4217 59.2682 28.9471 179.5535 87 S 4.1646 7.6685 114.8769 61.0833 62.9975 175.8125 88 L 4.3122 7.2983 119.1125 54.5083 42.0204 176.5455 89 T 4.6853 6.6110 106.9569 58.4949 71.9009 172.0576 90 P 4.1934 0.0000 0.0000 61.7072 31.8405 174.7053 91 P 4.0682 0.0000 0.0000 63.4550 31.2262 175.4303 92 F 5.2061 7.8398 115.8090 55.1758 41.0558 173.7552 93 D 5.0200 9.4207 120.5153 54.7861 43.6674 176.9329 94 I 4.8127 7.9350 118.0050 59.3699 41.6164 174.5398 95 V 4.5852 8.4671 126.5686 61.5490 33.3653 174.2092 96 Y 5.3909 8.9427 127.4028 56.3084 37.6581 174.9108 97 S 4.7060 8.4504 117.6049 56.8241 65.6504 173.7863 98 G 3.9583 8.8226 113.1012 45.4622 0.0000 173.5368 99 N 4.5602 8.0570 120.1724 52.5240 40.1294 173.8585 100 P 4.2824 0.0000 0.0000 65.3162 31.5592 178.6181 101 L 3.8802 7.7342 118.8911 58.0169 42.1718 178.6319 102 V 3.4928 7.7496 117.7799 66.1426 31.2677 177.6179 103 R 4.0223 8.1914 118.1170 59.7330 30.0321 178.6812 104 V 3.6531 7.9192 117.8859 65.8241 31.2377 178.0723 105 L 3.9936 8.1090 118.8257 57.7660 41.5398 179.3909 106 F 4.3726 8.0604 117.6568 60.8558 38.8522 177.6990 107 E 4.3576 8.8028 118.3586 59.3939 29.0090 178.9408 108 E 4.1972 8.1871 117.0377 58.0090 29.6609 178.1170 109 R 4.6174 7.5087 115.7532 55.6125 30.4219 176.8289 110 G 3.9026 8.3858 106.9208 45.7171 0.0000 173.1484 111 Y 4.5869 7.8677 116.3891 56.1761 39.8056 175.1885 112 E 4.2547 8.7569 123.7840 56.1375 31.1985 175.3585 113 V 4.8603 8.3995 125.8770 61.0829 34.2768 174.4933 114 K 4.7364 9.0655 127.0234 54.3835 35.6096 175.6007 115 R 4.6700 8.5191 122.4641 55.3441 30.6581 175.0055 116 P 4.6671 0.0000 0.0000 62.0044 32.5204 175.8727 117 E 3.9816 8.4060 119.5939 56.4284 29.9804 176.9281 118 M 4.1344 8.2222 122.8594 54.9902 32.7738 175.9512 119 F 4.6153 8.5169 121.4294 56.4511 40.6877 174.7163 120 N 4.1038 8.7769 126.0987 54.2189 36.8250 176.2406 121 R 4.1327 8.2392 117.4255 58.8408 30.4644 178.6718 122 K 4.1462 7.9844 115.5734 58.6126 33.0175 177.2365 123 E 4.4830 7.9421 117.6219 57.9416 31.3697 176.3438 124 Y 4.5724 7.8688 118.0808 56.0985 36.4158 174.3368 125 S 4.6342 7.7249 115.7578 55.8017 67.0065 175.6918 126 G 3.7623 8.9031 112.8969 48.3923 0.0000 175.7045 127 T 3.9044 7.9192 117.5417 66.4259 68.5020 176.1284 128 E 3.9601 8.2014 121.1320 59.3598 29.6453 178.9512 129 I 3.8647 8.0060 119.9677 64.4137 37.0725 178.6971 130 R 3.8051 8.5111 119.4904 59.0356 29.9711 179.0401 131 R 3.8798 8.1505 118.6154 59.4530 30.1086 178.8176 132 R 4.0093 8.1537 117.8346 59.4496 29.8643 178.5770 133 M 3.9653 7.8332 117.4616 58.7168 32.0864 178.3887 134 L 4.0692 8.0992 118.8968 57.5815 42.3186 177.7782 135 N 4.8474 8.1212 113.5150 52.7402 39.3149 175.7869 136 G 4.0144 8.2545 108.6444 45.5159 0.0000 173.4973 137 E 4.4719 7.8489 118.0073 54.6594 30.7736 176.2825 138 K 4.1934 8.4069 120.5261 56.2036 32.8038 177.3306 139 W 5.0510 7.6212 117.2961 55.8324 29.7070 177.0731 140 E 3.3394 7.2426 118.2942 59.0109 28.9240 177.4501 141 H 4.3832 8.0428 112.1633 56.9556 28.9016 175.6701 142 L 4.5274 8.1729 120.6370 55.2699 42.1382 176.2121 143 V 4.8470 7.2937 110.4682 57.8242 35.7451 173.9336 144 P 4.4422 0.0000 0.0000 62.3762 33.1510 177.9270 145 K 3.9348 8.6786 119.7910 59.7183 31.9575 179.5226 146 A 4.0057 7.9660 120.5830 54.9752 18.2522 179.6181 147 V 3.5389 7.8188 116.5183 66.0676 31.6322 178.2173 148 V 3.8702 7.6594 117.6510 66.1153 31.3082 177.6263 149 D 4.3276 8.1957 118.5368 57.4246 40.7417 178.7809 150 V 3.5283 7.8231 118.5263 66.3426 31.4191 177.8892 151 I 3.5429 8.0586 119.6313 64.3951 36.9254 178.5878 152 K 4.0065 8.1654 119.1163 59.4213 31.7134 178.7999 153 E 3.9782 8.1336 118.6263 58.9556 29.5938 178.0717 154 I 4.1845 7.5407 109.3402 59.2938 39.4618 175.6297 155 K 3.8346 8.1938 119.7786 57.7411 30.1924 176.4273 156 G 3.7902 8.6047 107.6151 47.7017 0.0000 174.6755 157 V 3.5453 7.7346 120.0566 65.8727 31.7596 177.5374 158 E 3.9463 8.3009 117.9291 59.6147 29.2767 178.9514 159 R 3.8686 7.9066 118.1440 59.5149 29.9654 177.7605 160 L 3.8109 7.7823 119.7224 58.5952 41.7863 179.1848 161 R 3.9317 7.9408 116.2333 59.4376 30.1052 178.9043 162 K 4.1079 7.9500 116.9513 59.4067 32.1041 179.0065 163 L 4.1563 7.7411 117.7866 56.4692 41.7024 177.4214 164 A 4.3782 7.5461 125.1748 52.1541 19.0946 176.6274 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 L 8.04 4.70 0.00 1.73 1.75 1.02 0.61 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 2 R 9.63 4.80 0.00 2.00 1.96 0.00 3.32 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 3 G 9.53 4.61 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 0.00 0.00 0.00 4 F 9.11 5.22 0.00 1.53 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 5 I 8.08 4.75 1.87 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 1.16 1.08 0.98 0.00 0.00 6 I 7.50 5.30 1.94 0.00 0.00 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 1.38 2.40 1.21 0.00 0.00 7 G 8.35 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 8 R 8.20 4.33 0.00 1.76 2.12 0.00 3.39 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 9 F 7.41 3.95 0.00 3.41 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 10 Q 7.74 5.08 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.13 2.65 0.00 11 P 0.00 5.48 0.00 2.22 2.13 0.00 3.53 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 2.01 1.89 0.00 12 F 8.87 4.17 0.00 2.86 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 13 H 7.73 4.96 0.00 3.36 3.36 0.00 5.73 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.26 3.62 0.00 0.79 1.14 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.24 1.23 7.81 15 G 7.65 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 H 7.69 4.02 0.00 2.28 3.02 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.22 3.90 0.00 1.46 1.58 0.85 1.08 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 18 E 7.85 3.62 0.00 1.68 1.12 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 2.24 1.98 0.00 19 V 8.25 3.94 2.31 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 0.94 0.00 0.00 1.09 0.00 0.00 20 I 7.96 3.63 2.09 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.82 0.86 0.00 0.00 21 K 7.92 3.79 0.00 1.73 1.83 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.58 7.81 22 K 8.12 4.12 0.00 2.13 2.07 0.00 1.59 0.00 0.00 1.75 0.00 0.00 3.33 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.58 7.81 23 I 7.77 3.37 1.83 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.52 0.49 0.00 0.00 24 A 7.98 4.08 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 25 E 7.45 4.45 0.00 2.08 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 2.31 2.51 0.00 26 E 8.84 4.74 0.00 2.17 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 0.00 2.34 2.28 0.00 27 V 7.38 4.66 2.22 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 0.85 0.00 0.00 1.11 0.00 0.00 28 D 8.46 4.64 0.00 2.75 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 29 E 8.19 5.06 0.00 2.07 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 2.36 2.42 0.00 30 I 8.74 5.06 1.94 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 0.86 0.92 0.00 0.00 31 I 9.21 4.77 2.09 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 1.30 0.58 1.07 0.00 0.00 32 I 9.01 4.51 1.79 0.00 0.00 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 1.09 0.78 0.59 0.00 0.00 33 G 8.84 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 34 I 9.32 4.58 1.98 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 1.29 0.65 1.07 0.00 0.00 35 G 9.32 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 0.00 0.00 0.00 36 S 8.85 4.36 0.00 4.04 3.91 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 37 A 8.08 4.12 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 38 Q 8.03 4.18 0.00 2.22 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.87 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 39 K 8.15 4.28 0.00 1.85 1.81 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.48 1.53 7.81 40 S 8.11 5.11 0.00 3.88 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 41 H 8.39 4.08 0.00 3.25 3.38 0.00 5.60 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 42 T 7.24 4.74 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 43 L 8.60 4.02 0.00 1.58 1.69 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.06 4.13 0.00 1.91 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 2.27 2.30 0.00 45 N 7.57 4.99 0.00 2.64 2.80 0.00 0.00 6.92 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 46 P 0.00 3.95 0.00 0.49 1.71 0.00 3.54 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.31 0.00 47 F 6.98 5.23 0.00 3.11 2.97 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 48 T 9.10 4.25 4.52 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 1.37 0.00 0.00 49 A 8.63 4.17 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.07 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.32 3.96 0.00 2.33 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 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0.00 0.00 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 5.13 0.00 1.93 1.95 0.00 3.65 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.41 0.00 70 I 8.85 4.66 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.01 0.94 0.00 0.00 71 P 0.00 4.80 0.00 2.14 2.13 0.00 3.73 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 2.02 2.04 0.00 72 I 8.96 4.65 2.10 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.34 1.14 0.00 0.00 73 K 9.09 4.73 0.00 1.87 1.86 0.00 1.88 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.63 7.81 74 D 8.91 4.74 0.00 2.81 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.57 4.77 1.77 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.80 0.49 0.00 0.00 76 E 8.12 4.54 0.00 1.95 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 2.23 2.21 0.00 77 F 7.62 4.83 0.00 3.02 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 78 N 8.14 4.46 0.00 2.82 2.87 0.00 0.00 6.64 7.51 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 79 S 8.42 4.34 0.00 3.99 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 80 I 7.70 4.33 1.64 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.55 0.41 0.00 0.00 81 W 8.31 4.16 0.00 3.49 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 82 V 7.77 2.90 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 0.72 0.00 0.00 0.49 0.00 0.00 83 S 7.99 4.11 0.00 3.87 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 84 Y 7.68 4.12 0.00 2.69 2.97 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 85 V 7.54 3.26 1.56 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 0.60 0.00 0.00 -0.38 0.00 0.00 86 E 8.53 3.93 0.00 1.89 1.87 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 2.13 2.43 0.00 87 S 7.67 4.16 0.00 3.93 3.89 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 88 L 7.30 4.31 0.00 1.46 1.55 0.04 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 89 T 6.61 4.69 4.33 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 1.33 0.00 0.00 90 P 0.00 4.19 0.00 1.73 1.73 0.00 3.46 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 1.63 0.00 91 P 0.00 4.07 0.00 2.10 2.00 0.00 3.38 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.04 0.00 92 F 7.84 5.21 0.00 3.33 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 93 D 9.42 5.02 0.00 2.63 2.76 0.00 0.00 0.00 0.00 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0.00 110 G 8.39 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 0.00 0.00 0.00 111 Y 7.87 4.59 0.00 3.13 2.90 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 0.00 112 E 8.76 4.25 0.00 2.07 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 2.35 2.31 0.00 113 V 8.40 4.86 2.32 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 0.93 0.00 0.00 1.08 0.00 0.00 114 K 9.07 4.74 0.00 1.38 1.66 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.29 1.18 7.81 115 R 8.52 4.67 0.00 1.73 1.90 0.00 3.22 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 116 P 0.00 4.67 0.00 2.25 2.18 0.00 3.84 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 117 E 8.41 3.98 0.00 1.31 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 118 M 8.22 4.13 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.46 0.00 119 F 8.52 4.62 0.00 3.12 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 0.00 120 N 8.78 4.10 0.00 2.80 2.40 0.00 0.00 7.14 7.65 0.00 0.00 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 R 8.24 4.13 0.00 1.83 1.99 0.00 3.27 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 122 K 7.98 4.15 0.00 1.83 1.92 0.00 1.49 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.39 7.81 123 E 7.94 4.48 0.00 1.69 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 0.00 2.17 2.16 0.00 124 Y 7.87 4.57 0.00 3.10 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.72 4.63 0.00 4.00 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 0.00 126 G 8.90 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 T 7.92 3.90 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 1.20 0.00 0.00 128 E 8.20 3.96 0.00 2.11 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 2.47 2.44 0.00 129 I 8.01 3.86 1.92 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 1.68 0.56 0.93 0.00 0.00 130 R 8.51 3.81 0.00 1.82 1.90 0.00 3.04 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.83 0.00 131 R 8.15 3.88 0.00 1.98 2.11 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 132 R 8.15 4.01 0.00 2.21 2.15 0.00 3.34 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.04 0.00 133 M 7.83 3.97 0.00 1.74 2.07 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.03 0.00 134 L 8.10 4.07 0.00 1.87 1.70 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 135 N 8.12 4.85 0.00 2.89 2.86 0.00 0.00 7.28 7.21 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 0.00 136 G 8.25 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 0.00 137 E 7.85 4.47 0.00 2.07 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 2.33 2.38 0.00 138 K 8.41 4.19 0.00 1.77 1.72 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.41 7.81 139 W 7.62 5.05 0.00 3.58 3.32 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 0.00 140 E 7.24 3.34 0.00 1.52 1.59 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 1.47 1.47 0.00 141 H 8.04 4.38 0.00 3.23 3.37 0.00 5.71 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.17 4.53 0.00 1.95 1.86 1.09 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 143 V 7.29 4.85 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.20 0.00 0.00 144 P 0.00 4.44 0.00 2.20 1.98 0.00 3.68 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 2.34 2.22 0.00 145 K 8.68 3.93 0.00 1.78 1.85 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.49 7.81 146 A 7.97 4.01 1.28 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 0.00 0.00 0.00 147 V 7.82 3.54 2.35 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 1.17 0.00 0.00 1.13 0.00 0.00 148 V 7.66 3.87 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 0.94 0.00 0.00 0.82 0.00 0.00 149 D 8.20 4.33 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 0.00 150 V 7.82 3.53 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 0.92 0.00 0.00 0.94 0.00 0.00 151 I 8.06 3.54 2.21 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 1.10 0.12 0.89 0.00 0.00 152 K 8.17 4.01 0.00 2.02 1.88 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.53 7.81 153 E 8.13 3.98 0.00 1.95 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 0.00 2.32 2.33 0.00 154 I 7.54 4.18 1.88 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.84 0.93 0.00 0.00 155 K 8.19 3.83 0.00 1.99 1.87 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.41 1.39 7.81 156 G 8.60 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 0.00 0.00 0.00 157 V 7.73 3.55 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 1.19 0.00 0.00 0.91 0.00 0.00 158 E 8.30 3.95 0.00 2.22 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 2.44 2.43 0.00 159 R 7.91 3.87 0.00 1.96 2.14 0.00 3.06 0.00 0.00 2.95 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 160 L 7.78 3.81 0.00 2.01 1.71 0.74 0.91 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 0.00 161 R 7.94 3.93 0.00 1.82 2.00 0.00 3.25 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 162 K 7.95 4.11 0.00 1.96 1.88 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.58 7.81 163 L 7.74 4.16 0.00 1.75 1.70 0.92 0.90 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 0.00 164 A 7.55 4.38 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 * Residues marked with a * may have inaccurate shift predictions.