NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1637 8.0249 120.7874 60.8401 39.1808 174.6498 3 Q 4.5262 8.3810 123.8841 52.3324 32.2970 173.3438 4 S 4.9395 9.1433 115.9945 56.7770 67.1855 173.0119 5 Q 4.6491 8.7226 121.2813 54.6646 30.3134 175.8383 6 I 4.4771 8.1102 110.1832 60.0188 39.0830 174.6518 7 N 4.8723 7.8536 120.2190 51.0674 40.7953 174.6958 8 R 3.9538 8.6265 123.8306 59.3612 29.3033 178.3230 9 N 4.4090 8.8379 117.4519 55.7219 38.3777 177.2936 10 I 3.6815 7.4538 121.8928 64.6673 37.2343 178.6319 11 R 4.0325 7.8969 118.1012 58.9408 30.0614 178.9529 12 L 4.0671 8.0986 119.1355 57.7349 41.5798 179.1603 13 D 4.3679 8.4571 119.3496 57.1101 40.6425 178.5041 14 L 3.9085 7.9913 120.7276 58.0714 42.0220 178.6258 15 A 4.1129 8.3792 121.1362 55.6438 18.2410 179.4209 16 D 4.2895 8.0566 116.7407 57.3334 40.8326 178.8546 17 A 3.9982 8.0245 121.3602 55.1528 18.3815 179.5877 18 I 3.6445 8.0890 118.6828 64.7198 37.2217 178.6904 19 L 4.0554 8.2767 119.9928 57.6200 41.3551 179.3622 20 L 3.9598 8.0048 120.4548 58.0085 42.0301 178.9531 21 S 4.0241 8.2363 113.2460 61.2576 62.3903 175.8799 22 K 3.7799 8.4562 122.5182 59.5498 31.8363 178.5865 23 A 3.9439 8.0155 120.8697 55.0976 18.1188 179.6698 24 K 3.9134 8.0113 116.0526 59.3643 32.2229 178.8140 25 K 4.1925 7.9386 115.6933 55.5493 32.5176 176.0574 26 D 4.3242 7.7435 117.8560 54.9908 40.2215 173.3061 27 L 4.5808 7.6893 116.0408 53.6683 43.2504 177.4361 28 S 4.6156 8.4442 116.6182 57.0615 66.2194 175.6328 29 F 4.2349 8.3848 121.6487 60.6057 38.6802 177.7199 30 A 4.0851 8.1938 120.3628 55.2525 17.9976 179.3707 31 E 3.9997 8.2286 115.0588 59.4923 29.8156 179.0590 32 I 3.8266 7.7350 119.8780 64.1068 37.4863 177.8124 33 A 4.2672 8.2091 120.9586 52.8545 18.4322 176.9964 34 D 4.4296 7.3284 117.5317 56.1534 41.4802 176.8825 35 G 4.0151 9.0609 114.6914 45.6249 0.0000 173.8410 36 T 4.1019 7.7711 108.9542 61.9286 69.4118 176.2754 37 G 3.9764 8.4313 109.5408 45.0957 0.0000 172.9321 38 L 4.7435 7.4779 118.3978 52.1166 44.8296 176.8989 39 A 4.2245 8.2946 123.1675 51.8443 20.3045 178.7231 40 E 3.9573 8.8951 121.0342 59.7062 29.4974 179.6322 41 A 3.9017 7.9522 121.0951 54.7297 18.5040 179.2992 42 F 3.8661 8.1117 118.7246 61.3571 39.6104 177.4640 43 V 3.6084 8.0634 117.9099 66.3296 31.3490 178.0516 44 T 3.7675 8.1782 115.4931 66.5863 68.2614 176.3730 45 A 3.8358 7.8328 122.3894 54.9598 18.3280 179.5177 46 A 4.3339 7.6395 120.4644 54.8488 18.2418 179.6401 47 L 3.9997 7.7553 116.2356 57.8250 41.7506 178.8828 48 L 4.5244 7.5075 116.1030 54.4227 41.6944 177.5267 49 G 3.9171 8.0551 106.8358 45.6268 0.0000 174.4164 50 Q 4.5096 8.3143 116.1184 55.4242 30.0754 174.7431 51 Q 4.5958 7.4536 116.0869 54.3730 33.9081 172.9522 52 A 5.1057 8.4739 121.5390 50.3691 21.1942 176.1716 53 L 4.7224 8.7107 122.2207 52.6810 43.7991 175.2008 54 P 4.4471 0.0000 0.0000 62.4765 32.2812 177.2041 55 A 4.0018 8.7773 122.3108 55.7568 18.1250 180.0355 56 D 4.2764 8.1000 116.4698 57.4133 40.8805 178.7359 57 A 3.9781 8.0034 120.6024 54.9677 18.4623 179.1763 58 A 3.9590 8.2416 119.4949 55.6209 18.4698 180.1350 59 R 3.8787 8.2609 116.6601 59.1431 30.0828 179.1593 60 L 3.9451 8.1712 120.2574 58.4020 42.2040 179.5287 61 V 3.8057 8.2281 112.7604 64.2033 31.3557 178.8846 62 G 3.5866 8.3705 105.6178 47.5888 0.0000 175.6476 63 A 4.0089 8.1510 123.2506 55.0048 18.2179 179.9515 64 K 4.0138 7.9584 115.7588 58.7190 32.1685 178.5775 65 L 4.4527 7.6828 116.2206 53.1786 42.3838 175.5996 66 D 4.3736 7.6546 116.4384 55.1241 40.0637 173.6740 67 L 4.3022 7.8576 116.8291 53.8588 42.8191 177.6680 68 D 4.7090 8.2775 121.9794 52.8402 41.9458 177.2760 69 E 4.0106 8.5481 118.2474 59.5514 29.3038 179.2925 70 D 4.3664 8.0451 118.6610 57.2771 40.9203 178.8032 71 S 4.1434 8.6653 116.1271 61.5480 62.6092 176.6603 72 I 3.7032 7.6576 121.5398 64.2988 37.1484 177.9182 73 L 4.2449 8.1443 121.2289 58.2055 41.7092 179.0118 74 L 4.0249 8.1046 118.3176 57.7670 41.7792 179.2622 75 L 4.1691 8.0897 118.4702 56.4227 42.5741 177.2793 76 Q 4.8931 7.3373 119.7002 53.6407 27.3569 174.6491 *78 I 4.0859 7.3165 119.3287 60.3884 39.2087 174.6616 79 P 4.6992 0.0000 0.0000 62.2148 32.8155 176.1853 80 L 4.2947 8.3272 123.5433 54.3081 41.6991 176.6101 81 R 4.1674 8.3638 125.3824 55.7701 30.8913 175.1148 82 G 3.0144 8.1239 107.6163 44.8728 0.0000 173.2539 83 C 4.3069 8.1331 122.6855 58.7249 30.6876 174.3959 84 I 4.0768 7.4981 121.7767 60.3556 37.6805 175.0327 85 D 4.4660 8.8382 125.3037 57.1810 41.5466 176.6280 86 D 4.6438 7.3997 115.6290 53.3427 41.7108 173.9083 87 R 4.2434 8.2337 126.9887 56.4542 29.3008 177.0298 88 I 4.0466 7.1983 116.5547 58.2599 38.9627 173.9122 89 P 4.4141 0.0000 0.0000 63.1027 31.7654 176.3490 90 T 4.2480 8.2817 110.6185 62.7671 69.9131 174.8969 91 D 4.5452 7.9592 121.8067 53.0998 42.2607 173.9384 92 P 4.4917 0.0000 0.0000 66.2718 31.5220 178.8661 93 T 3.8505 7.5739 108.5418 65.1478 68.1430 174.1953 *95 Y 4.6641 7.8934 124.8926 57.7001 40.4612 177.1691 96 R 3.9582 8.0140 117.6091 59.4969 30.0884 178.7185 97 F 4.1871 7.9930 116.1504 60.4441 39.2546 176.6338 98 Y 4.1065 7.9025 118.9047 60.1813 38.8237 178.6471 99 E 4.0612 8.0011 122.6336 55.5931 29.5514 178.6483 *101 L 4.2123 7.9423 118.6724 54.6064 43.8192 179.5747 102 Q 3.7975 7.5294 116.3738 58.5372 28.5007 178.6139 103 V 3.6842 7.6418 118.3770 64.7970 32.1332 176.7416 104 Y 4.7305 7.4980 113.1730 57.5453 38.5936 177.6056 105 G 3.6597 8.2554 109.3599 48.1035 0.0000 176.2121 106 T 4.0245 7.8259 111.7533 64.6583 68.8935 176.8890 107 T 3.9209 7.9000 118.2651 66.3663 68.4953 176.4539 108 L 3.9857 8.5255 121.4113 57.5402 41.5687 179.4074 109 K 3.7913 8.1059 119.2611 59.5470 32.1977 178.6806 110 A 4.0136 8.1833 121.0615 55.2572 18.2479 179.5272 111 L 4.0722 8.2850 117.4813 57.2954 41.7390 179.7493 112 V 3.7986 8.1425 118.9579 66.3985 31.3313 177.8236 113 H 4.9995 8.2790 117.4248 58.4262 28.3181 177.4518 114 E 3.9261 8.1466 120.0995 59.2626 29.5947 178.6332 115 K 3.9697 8.2199 117.3856 57.8021 32.2324 177.7778 116 F 4.2924 9.0156 115.0251 60.6329 41.3566 175.7686 117 G 4.0823 8.0675 103.0734 43.3124 0.0000 171.9185 118 D 4.6420 8.4635 119.3586 54.8949 42.2660 175.4946 119 G 4.3993 8.0955 109.5877 45.0763 0.0000 172.6458 120 I 4.8101 8.4683 113.7223 59.2921 41.7852 174.5498 121 I 4.6355 8.1295 123.6926 59.8359 38.0276 175.9177 122 S 4.1983 9.1711 122.9976 58.2239 62.9172 173.6118 123 A 3.9806 8.3808 127.5379 51.8536 19.1516 176.9367 124 I 4.3448 8.0962 117.7351 63.8680 39.3980 176.7037 125 N 4.7646 7.8475 122.4089 51.9793 37.8227 172.0910 126 F 5.3155 7.9400 121.9485 56.5771 42.8205 172.5626 127 K 4.6314 8.1033 124.3658 54.9262 36.1038 174.9585 128 L 5.6763 8.3814 120.4867 53.1602 43.9385 174.9670 129 D 4.8525 8.3872 117.9474 51.7822 43.3449 173.8993 130 V 4.7386 8.3910 119.8327 61.0627 33.7238 174.4212 131 K 4.6192 8.9576 129.1886 54.3618 35.0604 174.5481 132 K 4.7699 8.7270 128.9155 55.9748 33.0924 175.7908 133 V 4.6485 8.7499 126.3489 60.5866 35.5551 174.1523 134 A 4.4514 8.4788 126.5681 51.6507 19.3030 176.8412 135 D 4.4552 8.8609 122.9962 53.0900 41.5636 175.5714 136 P 4.5387 0.0000 0.0000 65.3586 31.5006 177.2541 137 E 4.1146 8.5953 116.5453 56.1334 29.7648 176.2246 138 G 3.9720 8.9502 108.7226 45.5319 0.0000 174.6783 139 G 3.8785 9.6576 109.9194 43.8986 0.0000 171.5344 140 E 5.2103 8.2759 116.9910 54.8211 33.7470 175.3836 141 R 4.8175 9.2499 120.2997 54.4340 34.6923 173.9875 142 A 5.0306 8.6041 123.1327 50.4905 21.1034 176.6066 143 V 4.1801 8.8890 123.2685 61.4315 33.3609 174.5023 144 I 4.7821 8.3754 129.5766 60.1442 38.7512 175.4208 145 T 4.4540 8.7364 125.0761 62.0430 70.2405 173.9001 146 L 4.5281 8.5650 127.1570 53.3900 43.1969 175.9566 147 D 4.7012 8.4338 125.0127 52.1493 42.8515 174.3427 148 G 4.6548 8.4241 111.4020 43.6515 0.0000 170.4002 149 K 4.3258 8.8301 124.2543 56.1951 33.6150 175.2320 150 Y 4.8362 8.5430 128.2545 57.2723 39.7551 174.2051 151 L 4.5009 8.6027 127.1157 52.0566 44.3906 174.3328 152 P 4.5841 0.0000 0.0000 62.6735 32.9692 175.7607 153 T 4.5520 8.5698 118.6123 62.1763 69.9557 174.1293 154 K 4.8068 8.5204 125.4870 53.4462 35.4148 174.5449 155 P 4.3966 0.0000 0.0000 63.0790 31.9621 176.5362 156 F 4.5155 7.7287 113.7753 57.3496 37.7831 174.3299 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 I 8.02 4.16 1.88 0.00 0.00 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 1.42 1.36 0.91 0.00 0.00 3 Q 8.38 4.53 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.65 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 4 S 9.14 4.94 0.00 3.91 3.77 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 5 Q 8.72 4.65 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 6 I 8.11 4.48 1.87 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 1.30 0.66 0.91 0.00 0.00 7 N 7.85 4.87 0.00 2.76 2.67 0.00 0.00 6.93 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 8 R 8.63 3.95 0.00 2.06 2.26 0.00 3.13 0.00 0.00 3.32 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 9 N 8.84 4.41 0.00 2.83 2.91 0.00 0.00 6.85 7.85 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 10 I 7.45 3.68 1.87 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 1.52 0.85 0.91 0.00 0.00 11 R 7.90 4.03 0.00 1.81 1.96 0.00 3.28 0.00 0.00 3.50 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 12 L 8.10 4.07 0.00 1.69 1.71 0.91 0.85 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 13 D 8.46 4.37 0.00 2.83 2.71 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 0.00 0.00 0.00 0.00 14 L 7.99 3.91 0.00 1.77 1.84 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.38 4.11 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.06 4.29 0.00 2.89 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 17 A 8.02 4.00 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.09 3.64 2.10 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 1.53 0.62 0.95 0.00 0.00 19 L 8.28 4.06 0.00 1.82 1.74 0.99 0.82 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 20 L 8.00 3.96 0.00 1.77 1.80 0.92 0.88 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 21 S 8.24 4.02 0.00 3.92 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 K 8.46 3.78 0.00 1.77 1.91 0.00 1.09 0.00 0.00 1.17 0.00 0.00 2.25 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.21 7.81 23 A 8.02 3.94 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 24 K 8.01 3.91 0.00 1.88 1.88 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.60 7.81 25 K 7.94 4.19 0.00 1.70 1.81 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.51 7.81 26 D 7.74 4.32 0.00 2.74 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 27 L 7.69 4.58 0.00 1.74 1.42 0.95 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.44 4.62 0.00 4.07 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 29 F 8.38 4.23 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 30 A 8.19 4.09 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 31 E 8.23 4.00 0.00 2.14 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 2.53 2.32 0.00 32 I 7.73 3.83 2.07 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.60 0.96 0.00 0.00 33 A 8.21 4.27 1.45 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 0.00 0.00 34 D 7.33 4.43 0.00 2.76 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 35 G 9.06 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 0.00 0.00 0.00 36 T 7.77 4.10 4.29 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 0.00 0.00 0.00 1.29 0.00 0.00 37 G 8.43 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 38 L 7.48 4.74 0.00 1.72 1.62 1.02 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.29 4.22 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 40 E 8.90 3.96 0.00 2.25 2.28 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 2.38 2.39 0.00 41 A 7.95 3.90 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 42 F 8.11 3.87 0.00 3.18 3.20 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 0.00 43 V 8.06 3.61 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 1.12 0.00 0.00 1.07 0.00 0.00 44 T 8.18 3.77 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 0.36 0.00 0.00 45 A 7.83 3.84 1.20 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 0.00 0.00 0.00 46 A 7.64 4.33 1.19 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 0.00 0.00 47 L 7.76 4.00 0.00 1.84 1.86 1.15 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.51 4.52 0.00 1.54 1.63 0.74 1.10 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 49 G 8.06 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 50 Q 8.31 4.51 0.00 1.86 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 6.64 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 51 Q 7.45 4.60 0.00 1.36 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.88 0.00 0.00 0.00 0.00 0.00 2.00 1.39 0.00 52 A 8.47 5.11 1.24 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 0.00 0.00 0.00 53 L 8.71 4.72 0.00 1.64 1.65 0.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.45 0.00 2.20 1.99 0.00 3.71 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 55 A 8.78 4.00 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 56 D 8.10 4.28 0.00 2.71 2.74 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 57 A 8.00 3.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.24 3.96 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.26 3.88 0.00 2.02 2.00 0.00 3.14 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 1.66 1.80 0.00 60 L 8.17 3.95 0.00 1.83 1.83 0.93 1.02 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 61 V 8.23 3.81 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 0.77 0.00 0.00 1.02 0.00 0.00 62 G 8.37 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 0.00 0.00 0.00 63 A 8.15 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.96 4.01 0.00 1.88 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.68 7.81 65 L 7.68 4.45 0.00 1.73 1.67 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.65 4.37 0.00 2.80 2.71 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 0.00 0.00 0.00 0.00 67 L 7.86 4.30 0.00 1.68 1.58 0.93 0.90 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 68 D 8.28 4.71 0.00 2.95 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 69 E 8.55 4.01 0.00 2.00 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 2.40 2.34 0.00 70 D 8.05 4.37 0.00 2.69 2.71 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 0.00 0.00 0.00 0.00 71 S 8.67 4.14 0.00 4.05 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 72 I 7.66 3.70 2.01 0.00 0.00 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 1.41 0.58 0.98 0.00 0.00 73 L 8.14 4.24 0.00 1.85 1.86 0.93 0.56 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 74 L 8.10 4.02 0.00 1.80 1.72 0.92 0.87 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 75 L 8.09 4.17 0.00 1.87 1.73 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.34 4.89 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.40 0.00 0.00 0.00 0.00 0.00 2.55 2.43 0.00 *78 I 7.32 4.09 1.88 0.00 0.00 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 1.42 0.83 0.92 0.00 0.00 79 P 0.00 4.70 0.00 2.12 2.03 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 80 L 8.33 4.29 0.00 1.67 1.65 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.36 4.17 0.00 1.82 1.87 0.00 3.24 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 82 G 8.12 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 0.00 0.00 0.00 83 C 8.13 4.31 0.00 3.06 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 84 I 7.50 4.08 1.85 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 1.30 0.54 0.91 0.00 0.00 85 D 8.84 4.47 0.00 2.61 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 86 D 7.40 4.64 0.00 2.58 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.23 4.24 0.00 1.98 2.05 0.00 3.21 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 88 I 7.20 4.05 1.74 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.70 0.61 0.00 0.00 89 P 0.00 4.41 0.00 2.19 2.06 0.00 3.41 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 90 T 8.28 4.25 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 91 D 7.96 4.55 0.00 2.68 2.68 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 92 P 0.00 4.49 0.00 2.26 2.12 0.00 3.69 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 93 T 7.57 3.85 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 1.35 0.00 0.00 *95 Y 7.89 4.66 0.00 3.21 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 96 R 8.01 3.96 0.00 1.53 1.74 0.00 3.39 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.78 0.00 97 F 7.99 4.19 0.00 3.08 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 7.90 4.11 0.00 2.95 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 99 E 8.00 4.06 0.00 1.93 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 2.28 2.37 0.00 *101 L 7.94 4.21 0.00 1.58 1.58 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.53 3.80 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.91 0.00 0.00 0.00 0.00 0.00 1.70 2.40 0.00 103 V 7.64 3.68 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 0.09 0.00 0.00 0.84 0.00 0.00 104 Y 7.50 4.73 0.00 3.03 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 0.00 105 G 8.26 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 0.00 0.00 0.00 106 T 7.83 4.02 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 1.20 0.00 0.00 107 T 7.90 3.92 4.62 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 1.33 0.00 0.00 108 L 8.53 3.99 0.00 1.82 1.73 0.95 0.82 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 0.00 109 K 8.11 3.79 0.00 1.83 1.97 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.46 7.81 110 A 8.18 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.28 4.07 0.00 1.78 1.74 0.94 1.09 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 0.00 112 V 8.14 3.80 2.23 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 0.98 0.00 0.00 0.98 0.00 0.00 113 H 8.28 5.00 0.00 3.23 3.35 0.00 5.68 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 0.00 114 E 8.15 3.93 0.00 1.98 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 2.28 2.33 0.00 115 K 8.22 3.97 0.00 1.56 1.07 0.00 1.67 0.00 0.00 1.51 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.49 7.81 116 F 9.02 4.29 0.00 2.45 1.45 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 0.00 117 G 8.07 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 0.00 0.00 0.00 118 D 8.46 4.64 0.00 2.71 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 0.00 119 G 8.10 4.40 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 0.00 120 I 8.47 4.81 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.13 0.93 0.00 0.00 121 I 8.13 4.64 1.82 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.69 0.95 0.00 0.00 122 S 9.17 4.20 0.00 3.82 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 0.00 123 A 8.38 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 I 8.10 4.34 1.88 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 1.15 0.98 0.93 0.00 0.00 125 N 7.85 4.76 0.00 2.79 2.75 0.00 0.00 6.55 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 0.00 126 F 7.94 5.32 0.00 3.15 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 0.00 127 K 8.10 4.63 0.00 1.62 1.67 0.00 1.21 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.12 1.15 7.81 128 L 8.38 5.68 0.00 1.75 1.42 1.01 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.39 4.85 0.00 2.65 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 0.00 130 V 8.39 4.74 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 0.83 0.00 0.00 0.90 0.00 0.00 131 K 8.96 4.62 0.00 1.83 1.61 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.34 7.81 132 K 8.73 4.77 0.00 1.83 1.71 0.00 1.95 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.45 7.81 133 V 8.75 4.65 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 0.90 0.00 0.00 0.94 0.00 0.00 134 A 8.48 4.45 1.24 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 0.00 0.00 0.00 135 D 8.86 4.46 0.00 2.70 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 0.00 136 P 0.00 4.54 0.00 2.10 2.10 0.00 3.99 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 137 E 8.60 4.11 0.00 2.03 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 2.43 2.40 0.00 138 G 8.95 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 0.00 0.00 0.00 139 G 9.66 3.88 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 0.00 140 E 8.28 5.21 0.00 1.81 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 2.21 2.33 0.00 141 R 9.25 4.82 0.00 1.67 1.77 0.00 3.24 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 142 A 8.60 5.03 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 0.00 143 V 8.89 4.18 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 1.04 0.00 0.00 0.94 0.00 0.00 144 I 8.38 4.78 2.02 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.70 1.00 0.00 0.00 145 T 8.74 4.45 4.44 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 0.00 0.00 1.18 0.00 0.00 146 L 8.56 4.53 0.00 1.65 1.98 1.02 1.20 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 0.00 147 D 8.43 4.70 0.00 2.58 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.42 4.65 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 0.00 0.00 0.00 149 K 8.83 4.33 0.00 1.93 1.70 0.00 1.55 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.44 7.81 150 Y 8.54 4.84 0.00 2.44 2.85 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 0.00 151 L 8.60 4.50 0.00 1.44 1.38 0.87 0.87 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 0.00 152 P 0.00 4.58 0.00 2.03 1.93 0.00 3.45 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.86 0.00 153 T 8.57 4.55 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 1.26 0.00 0.00 154 K 8.52 4.81 0.00 1.76 1.73 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.44 7.81 155 P 0.00 4.40 0.00 2.01 1.92 0.00 3.68 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 2.03 2.07 0.00 156 F 7.73 4.52 0.00 3.05 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 * Residues marked with a * may have inaccurate shift predictions.