NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6897 8.4201 119.2045 53.1631 41.7210 175.5640 0 A 4.0714 8.0942 127.9671 52.5194 17.7977 177.5586 2 K 4.0316 9.0865 115.7665 57.5101 32.0666 173.2840 3 K 4.0659 8.3101 129.5056 57.5637 32.8789 177.4795 4 G 3.8570 8.9350 107.5921 44.5717 0.0000 172.7616 5 T 4.4151 8.1294 106.3410 61.0018 69.9391 174.3972 6 V 3.9961 7.6019 122.4445 61.9781 30.2668 174.5968 7 L 4.3330 8.0730 126.3561 55.7250 42.8110 177.9222 8 N 4.4559 7.9718 117.9022 53.2577 40.3974 175.5288 9 S 4.1307 8.6296 123.0183 61.7107 63.2605 176.5966 10 E 3.9821 8.1979 121.8383 58.9533 29.3187 179.1355 11 I 3.6849 8.2839 120.0094 64.5551 37.2034 178.5648 12 S 4.1164 8.1461 115.9323 61.6211 62.4191 176.7978 13 S 4.0490 7.8920 114.5346 61.6290 62.4901 176.4088 14 V 3.7879 7.9948 115.1811 64.3592 31.1822 178.6118 15 I 3.7435 7.9699 119.9822 64.3420 36.7418 178.3864 16 S 4.2964 7.9827 113.4931 60.3400 63.0659 175.5910 17 R 4.3427 7.5240 120.0401 55.3580 30.7424 176.4959 18 L 4.1404 7.2805 119.7614 54.4479 42.4168 176.3882 19 G 4.1533 9.3559 111.0435 43.0673 0.0000 171.8169 20 H 4.4115 8.5724 118.8006 58.0610 29.8199 175.3182 21 T 3.4883 8.9318 116.6809 61.5387 68.8790 171.9848 22 D 4.6645 7.7814 122.7494 54.8984 42.2072 175.5195 23 T 5.1327 8.4233 110.6279 59.8688 72.5764 172.3522 24 L 4.9895 8.8486 124.3895 53.3944 45.7330 175.0379 25 V 4.8152 8.6660 125.8276 61.2943 33.9745 174.3082 26 V 4.9524 8.6714 127.6519 61.3439 33.7395 174.1344 27 C 5.7685 9.1463 122.1191 56.4638 33.7924 172.8212 28 D 5.2855 9.3363 119.7582 51.9370 41.0900 177.2574 29 A 4.0814 9.0832 121.5294 54.1340 18.2635 178.4677 30 G 3.9587 8.4890 103.4268 44.9162 0.0000 173.8197 31 L 4.1519 7.5964 123.4400 53.8851 42.6295 174.8884 32 P 4.4332 0.0000 0.0000 62.6769 32.0398 175.6230 33 I 4.4409 8.0152 121.2881 58.5852 39.0749 174.0079 34 P 4.4414 0.0000 0.0000 62.6082 31.7080 176.8818 35 N 4.5714 8.5788 116.8524 54.4191 37.6996 175.6902 36 S 4.4828 7.9100 112.7929 59.0343 63.4445 173.3784 37 T 4.7767 7.4079 114.8237 60.2503 70.6098 173.2434 38 A 4.2376 8.2757 127.6203 51.8928 19.8996 176.3587 39 R 4.6899 8.5489 121.8894 54.7496 31.9779 175.3931 40 I 4.3613 8.7877 128.5778 59.8446 38.8530 174.4925 41 D 4.9475 8.5547 126.4679 52.7557 43.0949 175.3825 *43 A 4.0383 8.2855 123.6988 52.2987 19.1130 175.9074 44 L 4.2058 8.8216 124.9715 56.7768 43.0127 175.9591 45 T 4.4014 7.3332 109.9534 60.6913 70.1446 171.7652 46 Q 4.0175 8.6042 122.2127 57.7788 28.6351 178.0470 47 G 3.9013 9.4214 111.5656 45.3150 0.0000 172.9919 48 V 4.4496 7.9476 120.3338 60.2209 34.2130 173.3032 49 P 5.0197 0.0000 0.0000 62.2907 33.3019 175.9364 50 S 4.6316 9.3144 116.1741 57.3391 64.7898 175.1696 51 F 4.1517 8.9606 119.9130 59.7068 39.2647 176.8573 *53 Q 4.1975 8.1542 119.7439 55.6378 30.6413 177.8347 54 V 3.5092 7.6021 116.4820 65.8683 31.5301 178.2016 55 V 3.3711 7.4701 118.0390 65.8663 31.0504 177.2822 56 D 4.1695 7.7453 115.9067 57.4281 41.5411 177.8975 57 V 3.6992 7.7119 118.4925 66.0070 31.6653 178.0026 58 V 3.6032 7.9782 118.4036 66.2222 31.1879 177.5795 59 T 4.2204 7.7253 106.5062 63.2982 68.9529 176.3844 60 R 4.1144 7.7536 120.7970 58.1788 30.3524 176.6140 61 E 4.4929 7.7750 117.7772 55.9424 30.2980 176.1431 *63 Q 4.2356 7.9446 117.3084 55.9597 30.5612 174.7954 64 V 4.9132 8.8346 124.9964 61.2027 32.7076 175.0948 65 E 4.7005 9.3361 124.9768 56.7536 31.9617 175.2323 66 A 4.8123 7.6209 119.9752 51.0269 22.9806 174.7937 67 A 5.1649 9.2169 120.7467 50.3095 23.0681 175.2645 68 I 4.9537 8.8962 122.1479 59.5369 40.4161 174.9168 69 L 5.3198 8.6801 124.9573 52.5580 46.5075 175.8706 70 A 4.6925 8.1118 123.4763 52.0852 19.3797 178.9061 71 T 3.8533 9.0337 119.8608 67.0009 68.5589 176.8571 72 E 3.7095 7.8031 119.4913 58.9363 29.2111 178.9984 73 I 3.7301 7.4620 118.8396 63.5428 37.7030 178.0599 74 K 3.7479 7.5143 118.9557 59.5067 31.9630 178.8329 75 Q 4.1588 7.8211 116.0796 57.8810 29.1159 177.2781 76 Q 4.5304 7.7598 116.0149 55.6202 30.6562 175.5041 77 N 5.0426 8.2350 119.8560 50.5803 39.5152 173.7095 78 P 4.2834 0.0000 0.0000 66.1417 31.7259 177.7236 79 Q 3.9324 8.0298 118.8861 58.8655 29.0068 177.8143 80 L 3.9936 7.9828 120.9839 58.1929 42.2480 177.9290 81 H 4.1794 8.4480 118.5072 59.3956 29.6868 176.5359 82 E 3.8716 8.4101 121.0126 59.8402 29.4824 178.8878 83 T 3.8762 7.9174 115.5896 66.6024 68.3934 176.4123 84 L 4.0800 8.2799 122.3322 58.0807 42.1163 178.9523 85 L 4.0074 8.0969 119.0017 58.1015 41.5661 179.5478 86 T 3.8478 8.1373 115.7942 66.8834 68.3501 176.0581 87 H 4.1305 8.3605 119.9439 59.4392 29.9556 177.3417 88 L 3.9600 8.2733 120.9857 57.5831 41.2530 179.2186 89 E 3.9154 8.3014 119.6237 59.4085 29.6161 178.9492 90 Q 3.9060 8.0838 118.1688 58.4653 28.6742 178.2982 91 L 3.8569 8.1221 122.1448 58.2051 42.1752 179.0585 92 Q 4.2948 7.9085 118.8772 58.8205 28.1514 178.6020 93 Q 3.9730 7.6083 118.7920 59.2237 28.8773 178.2170 94 H 4.4301 8.0051 115.8131 58.9619 28.7848 177.6275 95 Q 4.2090 8.4911 119.4531 56.4335 28.6074 176.7383 96 G 3.8889 8.1482 107.5466 46.2956 0.0000 172.6193 97 N 4.9795 7.7471 117.2510 51.0445 40.2420 171.9516 98 T 4.7642 8.2530 111.9615 60.5865 69.3206 173.6506 99 I 4.2952 9.0291 131.3553 60.7748 38.0016 176.0206 100 K 4.2842 8.7870 127.7554 56.0897 33.2118 175.9870 101 I 4.9861 8.3596 125.8546 59.6299 39.2451 175.0724 102 S 4.7374 8.7168 119.8596 56.9255 67.0517 172.2386 103 Y 5.3733 8.5980 117.6044 56.5461 41.0264 174.8802 104 T 4.9646 8.8300 113.0182 59.4790 73.1749 173.4587 105 T 4.2378 8.3995 111.2090 61.6331 69.5893 174.7535 106 H 4.2300 8.7247 122.7638 59.5430 29.6471 177.5099 107 E 3.9648 8.2577 119.9474 59.6442 29.3860 179.0484 108 Q 4.0120 8.2816 119.4727 58.7502 29.0737 177.6460 109 F 4.0273 8.7128 122.3680 61.4345 39.2161 177.2576 110 K 4.0363 8.1826 116.5321 59.4656 32.1550 179.1250 111 K 4.0988 7.9030 118.5370 59.5380 32.0092 179.4179 112 L 3.9827 8.0079 119.3840 57.7627 41.5689 179.6013 113 T 3.7804 7.7902 109.5185 64.3681 68.3248 176.2669 114 A 4.0702 7.6699 122.7629 54.2561 18.4202 178.1172 115 D 4.6897 7.6571 115.4379 53.3914 41.6373 176.8247 116 S 4.9369 6.9929 113.7238 57.0879 64.5317 174.3579 117 Q 4.2669 8.9047 120.0957 58.9256 29.5939 176.1936 118 A 4.8858 7.6926 117.6204 50.8990 22.9322 175.2494 119 V 4.6668 8.8156 120.3907 61.2194 34.2630 174.5923 120 I 4.6872 9.0845 130.0224 59.9664 38.4985 174.7273 121 R 4.6843 8.9186 129.8074 55.4827 30.7067 176.3641 122 S 4.6210 8.9021 122.1893 57.0336 65.6162 174.0017 123 G 4.0506 8.8804 105.0890 46.1461 0.0000 173.3573 124 E 4.4534 8.2984 122.9809 56.7233 30.2318 176.9749 125 C 4.7873 8.7410 122.6627 59.6357 29.8914 174.3703 126 S 4.3413 7.7335 112.4761 56.9652 63.4737 172.2072 127 P 4.0567 0.0000 0.0000 63.6268 31.6038 175.8320 128 Y 3.4162 7.6137 117.3083 59.0967 35.7785 171.5754 129 A 3.8358 7.1792 121.2935 50.7037 16.9708 177.2132 130 N 5.6102 7.3527 117.1507 50.8326 43.2339 175.3641 131 V 5.0400 9.5092 122.3957 60.2243 35.5469 174.3348 132 I 4.6030 8.9535 124.5256 60.1304 38.6971 174.5464 133 L 4.9777 8.9736 128.2689 53.5737 43.8280 175.3539 134 C 5.1343 8.9324 121.2221 57.8034 30.7805 173.0226 135 A 4.6715 9.0242 126.7644 51.9760 19.0698 176.5772 136 G 4.4156 8.1710 107.1008 46.6718 0.0000 172.8964 137 V 4.6663 8.1701 113.8214 59.3937 35.9586 176.0811 138 T 4.1075 8.3333 116.0982 64.1043 68.4024 175.1208 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 N 8.42 4.69 0.00 2.70 2.91 0.00 0.00 6.99 7.08 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 A 8.09 4.07 1.22 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 0.00 0.00 2 K 9.09 4.03 0.00 1.80 2.11 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.47 7.81 3 K 8.31 4.07 0.00 1.78 1.72 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.43 7.81 4 G 8.94 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 0.00 0.00 0.00 5 T 8.13 4.42 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 6 V 7.60 4.00 2.25 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 0.82 0.00 0.00 0.99 0.00 0.00 7 L 8.07 4.33 0.00 1.67 1.70 0.92 1.07 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 8 N 7.97 4.46 0.00 2.75 2.68 0.00 0.00 6.99 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.63 4.13 0.00 4.08 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 10 E 8.20 3.98 0.00 2.14 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 2.40 2.34 0.00 11 I 8.28 3.68 1.87 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 1.52 0.79 0.90 0.00 0.00 12 S 8.15 4.12 0.00 4.01 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 13 S 7.89 4.05 0.00 3.94 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 14 V 7.99 3.79 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 0.76 0.00 0.00 1.03 0.00 0.00 15 I 7.97 3.74 1.87 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 1.57 1.50 0.91 0.00 0.00 16 S 7.98 4.30 0.00 4.04 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 17 R 7.52 4.34 0.00 1.92 2.00 0.00 3.16 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.92 0.00 18 L 7.28 4.14 0.00 1.61 1.60 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 19 G 9.36 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 H 8.57 4.41 0.00 3.09 3.25 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.93 3.49 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 22 D 7.78 4.66 0.00 2.82 2.62 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 23 T 8.42 5.13 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 24 L 8.85 4.99 0.00 1.71 1.48 0.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.67 4.82 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 1.01 0.00 0.00 0.85 0.00 0.00 26 V 8.67 4.95 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 0.92 0.00 0.00 0.88 0.00 0.00 27 C 9.15 5.77 0.00 3.30 3.14 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 28 D 9.34 5.29 0.00 2.98 2.96 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 29 A 9.08 4.08 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 30 G 8.49 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 0.00 0.00 0.00 31 L 7.60 4.15 0.00 1.63 1.66 1.12 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.43 0.00 2.24 2.06 0.00 3.83 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 2.03 2.02 0.00 33 I 8.02 4.44 1.89 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 1.51 0.85 0.92 0.00 0.00 34 P 0.00 4.44 0.00 2.29 2.18 0.00 3.43 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 35 N 8.58 4.57 0.00 2.83 2.98 0.00 0.00 6.12 7.64 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 36 S 7.91 4.48 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.41 4.78 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 1.24 0.00 0.00 38 A 8.28 4.24 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 39 R 8.55 4.69 0.00 1.82 1.83 0.00 3.20 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 40 I 8.79 4.36 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 1.12 0.62 0.91 0.00 0.00 41 D 8.55 4.95 0.00 2.69 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *43 A 8.29 4.04 1.31 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 0.00 0.00 44 L 8.82 4.21 0.00 1.59 1.85 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.33 4.40 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 46 Q 8.60 4.02 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.56 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 47 G 9.42 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 48 V 7.95 4.45 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 1.07 0.00 0.00 0.99 0.00 0.00 49 P 0.00 5.02 0.00 2.16 2.16 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 50 S 9.31 4.63 0.00 3.96 4.06 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 51 F 8.96 4.15 0.00 3.12 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *53 Q 8.15 4.20 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 54 V 7.60 3.51 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 1.03 0.00 0.00 0.93 0.00 0.00 55 V 7.47 3.37 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.17 0.00 0.00 56 D 7.75 4.17 0.00 2.52 2.76 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 57 V 7.71 3.70 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 0.92 0.00 0.00 0.98 0.00 0.00 58 V 7.98 3.60 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 0.98 0.00 0.00 0.90 0.00 0.00 59 T 7.73 4.22 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 1.25 0.00 0.00 60 R 7.75 4.11 0.00 1.99 2.04 0.00 3.13 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.92 0.00 61 E 7.78 4.49 0.00 1.97 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 2.25 2.24 0.00 *63 Q 7.94 4.24 0.00 2.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.88 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 64 V 8.83 4.91 2.07 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 0.83 0.00 0.00 0.93 0.00 0.00 65 E 9.34 4.70 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.24 0.00 66 A 7.62 4.81 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 67 A 9.22 5.16 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.90 4.95 1.88 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 1.20 0.69 0.97 0.00 0.00 69 L 8.68 5.32 0.00 1.36 1.56 1.01 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.11 4.69 1.05 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 0.00 0.00 0.00 0.00 0.00 0.00 71 T 9.03 3.85 4.17 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 1.09 0.00 0.00 72 E 7.80 3.71 0.00 1.16 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 1.79 2.08 0.00 73 I 7.46 3.73 1.82 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 1.52 1.34 0.92 0.00 0.00 74 K 7.51 3.75 0.00 1.57 1.66 0.00 1.34 0.00 0.00 0.61 0.00 0.00 2.28 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.94 1.24 7.81 75 Q 7.82 4.16 0.00 1.95 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 76 Q 7.76 4.53 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.34 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 77 N 8.24 5.04 0.00 2.80 2.65 0.00 0.00 6.83 7.52 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 78 P 0.00 4.28 0.00 2.31 2.45 0.00 3.75 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 2.08 2.02 0.00 79 Q 8.03 3.93 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 80 L 7.98 3.99 0.00 1.88 1.79 1.03 0.55 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 H 8.45 4.18 0.00 3.25 3.50 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.41 3.87 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 2.32 2.36 0.00 83 T 7.92 3.88 4.42 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 1.25 0.00 0.00 84 L 8.28 4.08 0.00 2.03 1.96 1.05 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.10 4.01 0.00 1.86 1.70 0.83 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 86 T 8.14 3.85 4.46 0.00 0.00 0.00 0.00 0.00 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 87 H 8.36 4.13 0.00 3.26 3.50 0.00 5.79 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 88 L 8.27 3.96 0.00 1.88 1.70 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.30 3.92 0.00 2.02 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 0.00 2.28 2.34 0.00 90 Q 8.08 3.91 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 91 L 8.12 3.86 0.00 1.62 1.74 0.89 0.53 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 92 Q 7.91 4.29 0.00 2.59 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.58 2.31 0.00 93 Q 7.61 3.97 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.01 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 94 H 8.01 4.43 0.00 3.23 3.33 0.00 5.67 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.49 4.21 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.46 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 96 G 8.15 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 0.00 0.00 0.00 97 N 7.75 4.98 0.00 2.81 2.92 0.00 0.00 5.51 7.22 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 98 T 8.25 4.76 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 99 I 9.03 4.30 1.86 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 1.36 0.64 0.90 0.00 0.00 100 K 8.79 4.28 0.00 1.73 1.73 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.42 7.81 101 I 8.36 4.99 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 1.40 0.38 0.59 0.00 0.00 102 S 8.72 4.74 0.00 3.83 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 0.00 103 Y 8.60 5.37 0.00 2.85 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 0.00 104 T 8.83 4.96 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 105 T 8.40 4.24 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 1.22 0.00 0.00 106 H 8.72 4.23 0.00 3.27 3.40 0.00 5.79 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 0.00 107 E 8.26 3.96 0.00 2.05 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 0.00 2.45 2.35 0.00 108 Q 8.28 4.01 0.00 2.22 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 109 F 8.71 4.03 0.00 3.29 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.18 4.04 0.00 1.94 1.89 0.00 1.81 0.00 0.00 1.53 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.56 7.81 111 K 7.90 4.10 0.00 1.91 1.84 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 112 L 8.01 3.98 0.00 1.61 1.56 0.87 0.38 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 0.00 113 T 7.79 3.78 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 114 A 7.67 4.07 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 0.00 115 D 7.66 4.69 0.00 2.72 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 0.00 116 S 6.99 4.94 0.00 4.12 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 8.90 4.27 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 118 A 7.69 4.89 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 0.00 119 V 8.82 4.67 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 1.12 0.00 0.00 0.94 0.00 0.00 120 I 9.08 4.69 1.95 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 1.12 0.49 0.91 0.00 0.00 121 R 8.92 4.68 0.00 1.82 1.86 0.00 3.27 0.00 0.00 3.53 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 122 S 8.90 4.62 0.00 4.12 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 0.00 123 G 8.88 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.30 4.45 0.00 2.37 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 2.26 2.30 0.00 125 C 8.74 4.79 0.00 2.85 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 0.00 126 S 7.73 4.34 0.00 3.98 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 0.00 127 P 0.00 4.06 0.00 2.09 1.77 0.00 3.79 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 2.15 2.02 0.00 128 Y 7.61 3.42 0.00 3.04 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 7.18 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 N 7.35 5.61 0.00 2.20 2.95 0.00 0.00 6.99 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 V 9.51 5.04 2.40 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 1.05 0.00 0.00 1.10 0.00 0.00 132 I 8.95 4.60 1.79 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.19 0.82 0.00 0.00 133 L 8.97 4.98 0.00 1.65 1.57 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 134 C 8.93 5.13 0.00 2.89 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 0.00 135 A 9.02 4.67 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 G 8.17 4.42 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 0.00 137 V 8.17 4.67 2.06 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 0.77 0.00 0.00 0.89 0.00 0.00 138 T 8.33 4.11 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 * Residues marked with a * may have inaccurate shift predictions.