NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *7 R 4.3360 8.2393 119.0604 55.1327 31.4931 176.0254 8 P 2.9700 0.0000 0.0000 60.9309 33.4098 174.1844 9 N 4.9415 7.9557 117.4284 52.2061 43.0942 175.3121 10 H 4.4425 9.0052 119.7298 58.4568 30.1072 175.1718 11 T 5.3271 9.3401 115.7559 61.5993 71.1564 173.5416 12 I 4.8159 8.4946 119.5135 59.3146 40.2366 173.9134 13 Y 4.0783 8.8200 128.7156 56.8664 40.1466 173.8467 14 I 4.6673 7.6958 128.1504 59.5709 40.1287 174.3965 15 N 5.0856 8.2062 125.6683 50.6268 40.8044 174.7137 16 N 4.3374 8.8606 116.9361 54.8039 37.4637 174.6502 17 L 4.3411 7.6655 114.8643 53.7363 42.3946 176.1994 18 N 4.5199 8.5853 119.7503 53.3640 39.3181 175.1162 19 E 4.1121 8.7475 125.9028 59.0260 29.9074 178.9365 20 K 4.1806 7.9005 116.5014 57.8941 32.2429 176.8889 21 I 4.1005 6.7132 119.1049 59.3820 38.4350 176.4948 22 K 3.9810 8.3600 123.7298 56.4963 33.8765 178.0545 23 K 3.9117 8.5314 122.2664 59.8401 32.2196 178.6465 24 D 4.4169 8.0011 117.5974 56.6512 41.2830 177.7701 25 E 3.9084 8.0542 119.5538 59.2174 29.8319 178.1714 26 L 4.0992 7.9256 120.3828 58.2129 42.0059 178.7893 27 K 3.9588 7.9618 118.9882 59.6474 32.0073 178.9253 28 K 4.2157 8.1020 118.6472 59.4623 31.3633 179.6420 29 S 4.3678 9.0540 115.9201 61.5460 62.7578 176.7089 30 L 4.2124 8.3163 122.0099 58.0332 40.8694 178.9579 31 H 4.2813 8.2187 116.6458 58.9131 29.5568 177.0574 32 A 4.1160 7.8532 122.2249 54.4416 18.0482 178.5844 33 I 4.0704 7.2172 114.0988 62.9522 38.7362 177.4166 34 F 4.7794 8.2199 116.5465 58.3297 38.7646 176.8012 35 S 4.5174 7.6491 113.1715 59.2634 63.1916 175.2943 36 R 4.1418 7.1892 119.4671 58.1600 29.8820 177.6260 37 F 4.2556 7.7071 116.8100 57.9614 39.2686 175.3855 38 G 4.0407 7.4890 106.2013 45.5842 0.0000 170.8273 39 Q 4.3963 8.0436 117.1448 55.3114 29.7267 174.6222 40 I 4.5393 8.1742 122.7329 59.8803 38.5340 175.7586 41 L 4.1613 8.7184 126.6263 57.5220 42.0560 177.0170 42 D 4.6051 7.5340 115.3101 53.2174 44.6896 173.9188 43 I 4.8712 8.4013 126.0702 59.7045 39.2140 174.7287 44 L 4.6963 9.0389 128.3351 53.1547 43.5053 175.9023 45 V 4.7972 8.3935 123.1793 61.2036 34.6816 174.3299 46 S 4.7860 8.7376 120.3407 56.7572 65.7199 173.4255 47 R 4.6064 8.3450 120.5935 55.6732 30.7293 175.5442 48 S 4.3721 7.6712 110.2926 57.4820 63.7109 174.6756 49 L 3.8996 8.6433 123.4992 58.3494 41.7335 178.5025 50 K 4.1763 8.0416 117.8394 58.5381 32.3604 176.8387 51 M 4.8237 7.4546 114.0913 54.5211 33.1884 175.8771 52 R 4.2963 7.5928 115.8580 56.2954 30.3994 176.3506 53 G 3.9350 8.8915 106.9444 46.6574 0.0000 172.7877 54 Q 4.7165 7.8514 115.5100 53.9337 33.0609 174.3230 55 A 4.8111 8.5587 122.2172 50.4989 23.5634 175.5109 56 F 4.8573 8.9570 118.2468 55.7824 42.2654 174.3786 57 V 4.1910 8.0070 125.4258 61.3920 32.9362 174.5782 58 I 4.6630 8.2295 129.5287 59.9987 38.6149 174.9301 59 F 5.1599 8.7084 126.1887 55.5783 40.4946 176.3562 60 K 4.1413 8.6589 122.8516 58.8128 32.3977 177.1833 61 E 4.8604 7.9879 117.2430 53.9565 32.4261 177.0449 62 V 3.5648 8.3527 121.8869 65.9245 30.9705 178.0043 63 S 4.0602 8.1692 112.6258 61.9325 62.0473 176.5270 64 S 4.0376 7.8892 116.9365 61.2710 62.3924 176.5698 65 A 3.5225 7.5606 123.1231 55.1317 18.1977 179.5746 66 T 4.0881 7.9770 115.6973 66.4712 68.5954 176.6507 67 N 4.2764 7.7450 117.0907 56.0000 38.5023 177.3785 68 A 2.5800 7.2030 122.1743 54.3542 18.5510 179.3781 69 L 3.7099 7.8274 119.0940 58.2932 41.8947 179.5288 70 R 3.9508 7.6491 116.5364 59.4242 30.1427 179.0125 71 S 4.3149 8.2123 113.8608 61.5683 63.3332 175.9172 72 M 4.2064 7.7783 119.1801 54.4244 32.0545 176.0761 73 Q 4.0827 7.0245 120.3932 57.6180 29.5120 176.6814 74 G 3.9257 9.1286 112.9401 45.6176 0.0000 173.2481 75 F 4.1487 8.1111 123.4608 57.1432 39.6870 172.6541 76 P 4.5398 0.0000 0.0000 62.3812 31.3894 175.8098 77 F 4.6634 9.1927 126.0973 57.4369 41.2954 173.8682 78 Y 3.2793 8.6064 127.7710 59.4497 34.9607 170.7146 79 D 4.6016 8.4978 114.0487 54.6677 38.6765 174.1402 80 K 4.7666 7.7262 119.0227 53.6741 36.1449 173.9396 81 P 4.7377 0.0000 0.0000 63.1209 31.7924 176.1812 82 M 4.3541 9.3785 125.6792 55.1926 33.5273 175.2326 83 R 5.0103 8.5777 122.7378 54.6827 32.5430 174.4394 84 I 4.9600 8.3245 127.2294 59.7123 39.9274 174.8322 85 Q 4.6356 9.3147 124.2517 54.0919 33.6248 173.7224 86 Y 4.8197 8.3061 116.8460 57.2303 39.5372 175.4471 87 A 4.2631 9.0755 128.3494 52.8591 18.5076 178.4892 88 K 4.0826 9.1480 124.6863 57.0194 32.0331 174.7360 89 T 4.7997 7.4705 107.1041 58.9313 71.4930 173.4007 90 D 4.5033 8.5657 122.6069 54.8574 41.5725 177.5388 91 S 4.3825 8.4050 118.1237 58.1794 64.9633 175.5344 92 D 4.3382 8.4479 124.2122 57.6820 40.5436 179.0404 93 I 3.6713 7.7029 116.8894 63.2714 37.9844 177.3159 94 I 4.0046 7.3715 119.1945 63.6872 37.6876 177.3531 95 A 4.1638 8.6901 123.5975 55.5515 18.3955 178.1333 96 K 4.1359 8.0288 122.0198 54.7874 31.9036 178.2467 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 *7 R 8.24 4.34 0.00 1.85 1.68 0.00 3.22 0.00 0.00 3.22 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 8 P 0.00 2.97 0.00 1.78 1.43 0.00 3.53 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 9 N 7.96 4.94 0.00 2.64 2.97 0.00 0.00 7.04 7.89 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 10 H 9.01 4.44 0.00 3.25 3.63 0.00 5.83 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 9.34 5.33 4.41 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 1.46 0.00 0.00 12 I 8.49 4.82 1.85 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.06 0.95 0.00 0.00 13 Y 8.82 4.08 0.00 3.04 2.80 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 14 I 7.70 4.67 1.52 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.18 0.78 0.00 0.00 15 N 8.21 5.09 0.00 2.69 2.68 0.00 0.00 6.46 6.47 0.00 0.00 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 N 8.86 4.34 0.00 2.87 3.02 0.00 0.00 6.89 7.78 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 17 L 7.67 4.34 0.00 1.71 1.68 0.86 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.59 4.52 0.00 2.71 2.56 0.00 0.00 7.06 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 19 E 8.75 4.11 0.00 2.05 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 2.45 2.32 0.00 20 K 7.90 4.18 0.00 2.06 1.80 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.47 1.28 7.81 21 I 6.71 4.10 1.36 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.29 -0.06 0.54 0.00 0.00 22 K 8.36 3.98 0.00 1.76 1.73 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.48 7.81 23 K 8.53 3.91 0.00 1.78 1.80 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.45 7.81 24 D 8.00 4.42 0.00 2.79 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 25 E 8.05 3.91 0.00 2.09 1.92 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 2.51 2.45 0.00 26 L 7.93 4.10 0.00 1.87 1.74 1.13 0.20 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 27 K 7.96 3.96 0.00 2.03 2.02 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.51 7.81 28 K 8.10 4.22 0.00 2.13 1.90 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.18 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.63 7.81 29 S 9.05 4.37 0.00 4.31 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 0.00 30 L 8.32 4.21 0.00 1.96 1.75 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 31 H 8.22 4.28 0.00 3.29 3.45 0.00 5.60 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.85 4.12 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 33 I 7.22 4.07 1.41 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 1.45 1.05 0.39 0.00 0.00 34 F 8.22 4.78 0.00 3.24 3.37 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 35 S 7.65 4.52 0.00 4.08 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 36 R 7.19 4.14 0.00 1.67 1.84 0.00 2.21 0.00 0.00 2.71 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.50 0.00 37 F 7.71 4.26 0.00 3.10 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.49 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.04 4.40 0.00 2.32 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.88 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 40 I 8.17 4.54 1.83 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 0.74 0.54 0.74 0.00 0.00 41 L 8.72 4.16 0.00 1.60 1.71 0.93 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 42 D 7.53 4.61 0.00 2.66 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 43 I 8.40 4.87 1.87 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 1.19 0.67 0.87 0.00 0.00 44 L 9.04 4.70 0.00 1.70 1.65 0.90 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.39 4.80 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 0.79 0.00 0.00 0.95 0.00 0.00 46 S 8.74 4.79 0.00 3.87 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 47 R 8.35 4.61 0.00 1.74 1.83 0.00 3.47 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 48 S 7.67 4.37 0.00 4.11 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 49 L 8.64 3.90 0.00 1.61 1.78 0.93 0.60 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 50 K 8.04 4.18 0.00 1.78 1.86 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.49 7.81 51 M 7.45 4.82 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.64 0.00 52 R 7.59 4.30 0.00 1.93 2.04 0.00 3.18 0.00 0.00 3.08 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.55 0.00 53 G 8.89 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 0.00 0.00 0.00 54 Q 7.85 4.72 0.00 2.03 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.71 0.00 0.00 0.00 0.00 0.00 2.16 2.47 0.00 55 A 8.56 4.81 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.96 4.86 0.00 2.99 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 57 V 8.01 4.19 1.58 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 0.08 0.00 0.00 0.40 0.00 0.00 58 I 8.23 4.66 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.64 0.93 0.00 0.00 59 F 8.71 5.16 0.00 3.16 2.99 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 60 K 8.66 4.14 0.00 1.83 1.95 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.46 7.81 61 E 7.99 4.86 0.00 2.04 1.82 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 2.35 2.24 0.00 62 V 8.35 3.56 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 1.03 0.00 0.00 0.58 0.00 0.00 63 S 8.17 4.06 0.00 3.91 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 64 S 7.89 4.04 0.00 3.86 3.53 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 65 A 7.56 3.52 1.53 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 0.00 0.00 66 T 7.98 4.09 4.36 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 1.30 0.00 0.00 67 N 7.74 4.28 0.00 2.82 2.97 0.00 0.00 6.96 7.19 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 68 A 7.20 2.58 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.83 3.71 0.00 1.50 1.61 -0.20 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.65 3.95 0.00 1.78 1.95 0.00 3.21 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 71 S 8.21 4.31 0.00 3.98 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 M 7.78 4.21 0.00 1.79 2.12 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 2.28 0.00 73 Q 7.02 4.08 0.00 2.30 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.01 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 74 G 9.13 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 F 8.11 4.15 0.00 3.18 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 76 P 0.00 4.54 0.00 1.78 1.85 0.00 2.75 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 1.77 1.92 0.00 77 F 9.19 4.66 0.00 3.22 3.08 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 78 Y 8.61 3.28 0.00 2.97 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 79 D 8.50 4.60 0.00 2.85 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 80 K 7.73 4.77 0.00 1.85 1.87 0.00 1.71 0.00 0.00 2.08 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.40 7.81 81 P 0.00 4.74 0.00 2.10 2.09 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 82 M 9.38 4.35 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.61 0.00 83 R 8.58 5.01 0.00 1.89 2.06 0.00 3.06 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 84 I 8.32 4.96 1.80 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 1.18 0.78 0.78 0.00 0.00 85 Q 9.31 4.64 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 86 Y 8.31 4.82 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 87 A 9.08 4.26 1.55 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 0.00 0.00 88 K 9.15 4.08 0.00 1.79 1.75 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.01 7.81 89 T 7.47 4.80 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 1.21 0.00 0.00 90 D 8.57 4.50 0.00 2.67 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 91 S 8.41 4.38 0.00 3.88 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 92 D 8.45 4.34 0.00 2.72 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 93 I 7.70 3.67 1.85 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 0.73 0.89 0.00 0.00 94 I 7.37 4.00 1.98 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 1.55 0.95 0.75 0.00 0.00 95 A 8.69 4.16 1.29 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 0.00 0.00 0.00 96 K 8.03 4.14 0.00 1.78 1.58 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.35 1.25 7.81 * Residues marked with a * may have inaccurate shift predictions.