NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.6357 8.3649 119.5513 52.5815 42.1551 175.7206 4 K 4.1595 7.8779 116.1219 57.5380 32.7968 175.0155 5 I 4.2078 8.2844 121.9586 60.9351 38.7911 175.2351 6 I 4.1309 9.1886 131.4480 61.6546 38.4611 175.2177 *7 H 4.9765 8.7622 125.8030 54.1579 28.9066 171.6521 8 L 4.9929 8.8081 123.9839 52.3966 44.5278 175.7621 9 T 4.9063 8.4761 109.6727 59.7355 72.4513 174.6214 10 D 4.4759 9.2625 121.7039 56.7604 40.8426 178.7446 11 D 4.6509 8.0619 115.5222 54.3034 40.2260 177.4120 12 S 4.5205 7.9119 115.2047 59.4079 63.6197 175.7835 13 F 3.9246 7.7357 124.4427 61.7193 39.1225 176.7599 14 D 4.4681 8.3741 117.9573 56.8979 40.3863 178.0904 15 T 4.1970 7.6023 108.3728 63.5387 69.9741 176.3619 16 D 4.3830 8.2451 120.9907 55.9490 40.5265 176.9144 17 V 3.7987 7.3293 116.7824 64.1602 33.0279 177.6078 18 L 3.9410 7.6198 121.4907 57.8569 41.6873 179.0317 19 K 4.3999 7.7152 116.8459 54.1641 31.7155 178.5634 20 A 4.5934 7.6255 124.0326 52.4850 20.6696 177.4478 21 D 4.8482 8.3112 118.3027 52.6155 42.7629 179.7153 22 G 3.8466 7.9678 106.1995 46.3774 0.0000 172.0256 23 A 5.3470 8.3598 121.6964 50.2239 22.1463 176.0284 24 I 4.8820 8.4286 121.6206 59.3773 40.9058 174.3779 25 L 4.7312 8.9890 130.1431 53.8134 43.3515 175.1377 26 V 4.5483 8.7961 128.0007 61.6788 33.3601 174.0564 27 D 5.2008 9.3632 129.1738 52.8079 42.7719 175.1629 28 F 4.9933 9.7466 127.3540 56.7974 40.2156 175.2299 29 W 5.6648 8.9708 120.2906 55.3199 32.5806 173.4681 30 A 3.9848 8.1932 118.4530 50.6969 21.1126 177.3942 31 E 4.2148 8.5968 121.5822 58.8505 30.0071 177.8687 32 W 4.4251 7.7717 112.9130 56.9895 28.6737 176.3792 33 C 4.2948 7.5425 121.1352 55.3985 37.2228 173.8019 34 G 3.8041 8.7609 114.5798 47.9610 0.0000 172.3489 35 P 4.3276 0.0000 0.0000 64.7324 31.1015 179.5361 36 C 4.2603 7.6772 115.2145 59.7200 34.5956 175.5694 37 K 3.9579 7.7921 120.9636 59.9366 31.6195 178.5793 38 M 4.0137 8.0148 116.9380 58.3947 32.1638 177.8943 39 I 3.9384 7.7176 117.5069 62.4557 38.1476 177.5488 40 A 3.7910 7.5623 121.6758 55.0476 18.0050 177.9371 41 P 4.1737 0.0000 0.0000 65.4530 31.2837 179.0060 42 I 3.7979 7.6101 118.5785 64.1796 37.1490 178.1418 43 L 3.9514 8.5091 120.1881 57.6889 40.9762 179.1325 44 D 4.3333 8.3030 119.4222 57.4490 40.7448 178.8228 45 E 3.9416 7.8314 118.7131 59.4069 29.5141 179.1765 46 I 3.8852 8.1149 119.9888 64.5611 36.9410 178.3639 47 A 4.0135 8.0790 120.4098 54.7185 18.1890 178.8396 48 D 4.5433 7.3151 116.5004 57.0493 41.4032 178.5638 49 E 4.1886 8.7579 118.5092 58.4930 29.5913 177.9165 50 Y 4.6280 8.3080 118.1882 57.1618 38.7190 175.9395 51 Q 4.1641 7.7256 118.9181 56.7705 28.4509 180.4624 52 G 4.0606 9.3545 113.5396 45.0600 0.0000 174.1742 53 K 4.4748 7.9697 118.3688 55.1430 34.4864 181.4561 54 L 5.0574 8.2468 120.0989 53.2202 45.1132 175.4293 55 T 4.5935 8.5953 120.4796 60.3986 69.8419 173.0585 56 V 4.6791 8.2834 127.8309 61.7557 33.6457 174.2668 57 A 5.1823 9.0516 128.3877 50.1773 22.7302 174.8692 58 K 5.0945 9.0806 120.5760 54.4572 36.1796 175.1691 59 L 4.8815 8.6492 125.1157 53.2085 45.3973 175.0085 60 N 4.0224 8.7239 125.8495 52.4540 38.8521 175.4966 61 I 4.0607 8.0478 120.7789 63.3872 38.1314 177.2862 62 D 4.5034 7.8918 120.5236 56.9024 40.8127 177.1336 63 Q 4.2744 7.4871 116.2079 56.5457 29.4203 175.4114 64 N 4.9521 7.6641 115.0501 50.5537 38.8700 172.2162 65 P 4.4492 0.0000 0.0000 64.2741 32.3305 178.6850 66 G 3.7243 9.2339 109.1839 48.6647 0.0000 175.5390 67 T 3.8914 8.5006 116.7563 66.4539 68.9314 176.5566 68 A 3.9321 8.3437 122.7406 55.0505 17.9851 177.6917 69 P 4.1963 0.0000 0.0000 66.1523 31.0678 179.5264 70 K 3.9538 7.9762 122.0805 58.8010 30.5144 181.5416 71 Y 4.7376 7.8027 115.1323 57.0874 38.1826 176.2229 72 G 4.1012 7.6033 105.4542 46.4126 0.0000 174.2851 73 I 3.8157 7.0565 121.2582 60.8052 37.2806 175.2501 74 R 4.3591 8.5458 123.9059 57.6111 32.0405 176.1727 75 G 3.8068 7.9738 105.2781 45.5339 0.0000 172.5995 76 T 4.7337 8.0319 111.7150 58.6202 71.7540 171.9770 77 P 4.7941 0.0000 0.0000 63.0920 33.5900 174.7382 78 T 4.9739 8.5683 117.1515 61.8858 71.4417 173.1596 79 L 4.9901 8.9246 127.4980 53.4954 43.7160 175.3770 80 L 4.9202 9.4166 126.7068 53.0559 44.5557 174.8588 81 L 4.8196 9.1604 130.2854 54.7388 43.6126 175.3870 82 F 5.2203 9.4913 127.3592 56.2741 42.4432 175.5906 83 K 4.4679 9.2887 125.9618 53.5097 35.2059 175.3947 84 N 4.4173 9.7340 125.7979 53.5649 36.3250 176.1856 85 G 4.1890 8.6531 105.0820 45.6727 0.0000 173.6655 86 E 4.9012 7.7231 119.2269 53.9795 31.9879 176.0276 87 V 3.4703 8.5138 116.1513 61.8124 32.2595 175.1505 88 A 4.6323 8.5607 124.5636 53.2220 21.2238 175.7634 89 A 4.6692 7.5579 114.1479 51.6857 22.8816 174.8891 90 T 5.1812 8.4848 112.3339 60.9071 70.8267 173.0473 91 K 4.5345 8.7246 124.8232 54.5369 36.5472 175.4644 92 V 4.5899 8.2511 122.8511 62.5050 34.4260 176.2081 93 G 3.7324 8.9226 115.2652 44.1357 0.0000 172.5203 94 A 4.1305 8.1529 121.3411 52.2940 18.8772 177.0639 95 L 4.6905 7.9678 120.4241 53.5245 43.4589 175.7751 96 S 4.6534 8.2202 115.0923 57.0368 66.1642 175.0894 97 K 4.2178 8.5192 122.8509 59.5149 31.9695 179.1832 98 G 3.5627 8.0091 105.8070 47.7920 0.0000 175.6740 99 Q 4.7447 8.0641 121.9513 58.0099 28.6853 178.5441 100 L 3.9305 8.4317 121.7083 58.2952 42.3442 179.1378 101 K 4.0706 8.6944 119.0563 59.4963 32.1066 179.0089 102 E 4.1620 8.3048 117.3703 58.7905 28.3871 178.9293 103 F 4.1966 8.2456 121.9611 61.2353 39.3938 177.1684 104 L 3.9452 8.0577 118.6879 57.6986 41.4573 179.0856 105 D 4.4043 8.0854 118.3877 57.3205 40.6438 178.1260 106 A 4.3025 7.6399 117.2801 53.0851 18.5906 177.3026 107 N 4.8014 7.3025 112.9908 52.4027 40.8091 175.1900 108 L 4.5079 8.1887 116.7699 54.7270 43.9008 176.3214 109 A 4.2856 7.8768 125.1393 52.1953 19.1485 175.3817 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 3 D 8.36 4.64 0.00 2.71 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 4 K 7.88 4.16 0.00 1.81 1.87 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.52 7.81 5 I 8.28 4.21 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.43 0.91 0.00 0.00 6 I 9.19 4.13 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.64 0.87 0.00 0.00 *7 H 8.76 4.98 0.00 2.69 2.85 0.00 7.17 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.81 4.99 0.00 1.62 1.71 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.48 4.91 4.27 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 0.00 0.00 0.00 1.24 0.00 0.00 10 D 9.26 4.48 0.00 2.80 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 11 D 8.06 4.65 0.00 2.81 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 12 S 7.91 4.52 0.00 4.17 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 0.00 13 F 7.74 3.92 0.00 3.46 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 14 D 8.37 4.47 0.00 2.81 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.60 4.20 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 1.20 0.00 0.00 16 D 8.25 4.38 0.00 2.58 2.61 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 17 V 7.33 3.80 0.77 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 -0.40 0.00 0.00 0.09 0.00 0.00 18 L 7.62 3.94 0.00 1.95 1.73 1.19 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.72 4.40 0.00 1.77 1.68 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.34 1.24 7.81 20 A 7.63 4.59 1.21 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 0.00 0.00 21 D 8.31 4.85 0.00 2.70 2.45 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 22 G 7.97 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 0.00 0.00 0.00 0.00 23 A 8.36 5.35 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 24 I 8.43 4.88 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.62 0.88 0.00 0.00 25 L 8.99 4.73 0.00 1.77 1.56 1.10 0.76 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 26 V 8.80 4.55 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 0.45 0.00 0.00 0.93 0.00 0.00 27 D 9.36 5.20 0.00 2.75 2.63 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 0.00 0.00 0.00 0.00 28 F 9.75 4.99 0.00 2.97 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 29 W 8.97 5.66 0.00 3.38 3.27 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 0.00 0.00 0.00 0.00 30 A 8.19 3.98 0.43 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 31 E 8.60 4.21 0.00 2.05 2.12 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 2.43 2.50 0.00 32 W 7.77 4.43 0.00 3.63 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 33 C 7.54 4.29 0.00 2.30 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 34 G 8.76 3.80 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 0.00 0.00 0.00 35 P 0.00 4.33 0.00 2.15 2.10 0.00 3.59 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 36 C 7.68 4.26 0.00 3.15 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 37 K 7.79 3.96 0.00 1.78 1.92 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.46 7.81 38 M 8.01 4.01 0.00 2.00 2.26 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.65 0.00 39 I 7.72 3.94 2.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.59 0.87 0.00 0.00 40 A 7.56 3.79 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 41 P 0.00 4.17 0.00 2.13 2.08 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 42 I 7.61 3.80 1.97 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 1.63 0.70 0.90 0.00 0.00 43 L 8.51 3.95 0.00 1.69 1.65 0.82 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.30 4.33 0.00 2.78 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 45 E 7.83 3.94 0.00 2.16 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 2.33 2.34 0.00 46 I 8.11 3.89 1.83 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.85 0.65 0.00 0.00 47 A 8.08 4.01 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 48 D 7.32 4.54 0.00 2.65 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 49 E 8.76 4.19 0.00 2.15 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 0.00 2.35 2.53 0.00 50 Y 8.31 4.63 0.00 3.10 2.94 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 51 Q 7.73 4.16 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.63 0.00 0.00 0.00 0.00 0.00 2.28 1.94 0.00 52 G 9.35 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 0.00 0.00 0.00 53 K 7.97 4.47 0.00 1.74 1.67 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.68 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.23 0.94 7.81 54 L 8.25 5.06 0.00 1.60 1.57 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.60 4.59 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 1.22 0.00 0.00 56 V 8.28 4.68 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 0.87 0.00 0.00 0.90 0.00 0.00 57 A 9.05 5.18 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 0.00 0.00 0.00 0.00 0.00 58 K 9.08 5.09 0.00 1.74 1.82 0.00 1.36 0.00 0.00 0.96 0.00 0.00 2.53 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.21 1.25 7.81 59 L 8.65 4.88 0.00 1.59 1.11 1.01 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 60 N 8.72 4.02 0.00 2.28 2.40 0.00 0.00 6.94 7.92 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 61 I 8.05 4.06 1.89 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 1.43 0.64 1.06 0.00 0.00 62 D 7.89 4.50 0.00 2.80 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 63 Q 7.49 4.27 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.99 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 64 N 7.66 4.95 0.00 2.76 3.04 0.00 0.00 7.03 8.16 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 65 P 0.00 4.45 0.00 2.17 2.17 0.00 3.92 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 66 G 9.23 3.72 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 0.00 0.00 0.00 67 T 8.50 3.89 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 0.52 0.00 0.00 68 A 8.34 3.93 1.23 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 0.00 0.00 0.00 69 P 0.00 4.20 0.00 2.11 2.09 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 70 K 7.98 3.95 0.00 1.86 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.35 7.81 71 Y 7.80 4.74 0.00 2.91 2.89 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 72 G 7.60 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 0.00 0.00 0.00 73 I 7.06 3.82 1.65 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.51 0.61 0.00 0.00 74 R 8.55 4.36 0.00 1.68 1.86 0.00 3.31 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 75 G 7.97 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 0.00 0.00 0.00 76 T 8.03 4.73 4.13 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 1.15 0.00 0.00 77 P 0.00 4.79 0.00 2.25 2.26 0.00 3.51 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 78 T 8.57 4.97 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 1.14 0.00 0.00 79 L 8.92 4.99 0.00 1.44 1.58 0.92 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 80 L 9.42 4.92 0.00 1.93 1.87 0.77 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 81 L 9.16 4.82 0.00 1.91 1.67 0.93 0.61 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 82 F 9.49 5.22 0.00 3.02 2.91 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 83 K 9.29 4.47 0.00 1.33 1.65 0.00 1.96 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.26 1.26 7.81 84 N 9.73 4.42 0.00 2.92 2.96 0.00 0.00 7.18 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 85 G 8.65 4.19 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 0.00 86 E 7.72 4.90 0.00 2.19 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 0.00 2.30 2.32 0.00 87 V 8.51 3.47 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 0.14 0.00 0.00 1.03 0.00 0.00 88 A 8.56 4.63 1.16 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 0.00 0.00 89 A 7.56 4.67 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 90 T 8.48 5.18 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 1.22 0.00 0.00 91 K 8.72 4.53 0.00 1.14 1.25 0.00 1.31 0.00 0.00 1.26 0.00 0.00 2.66 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.30 0.21 7.81 92 V 8.25 4.59 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 0.76 0.00 0.00 0.88 0.00 0.00 93 G 8.92 3.73 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 0.00 94 A 8.15 4.13 1.23 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 0.00 0.00 0.00 95 L 7.97 4.69 0.00 1.85 1.53 0.80 0.59 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 96 S 8.22 4.65 0.00 4.06 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 97 K 8.52 4.22 0.00 1.85 1.86 0.00 1.81 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.54 1.53 7.81 98 G 8.01 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.06 4.74 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.23 0.00 100 L 8.43 3.93 0.00 1.76 1.86 0.93 0.47 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 0.00 101 K 8.69 4.07 0.00 1.99 1.96 0.00 1.79 0.00 0.00 1.84 0.00 0.00 3.28 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.70 1.66 7.81 102 E 8.30 4.16 0.00 2.28 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 0.00 2.58 2.39 0.00 103 F 8.25 4.20 0.00 3.07 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 0.00 104 L 8.06 3.95 0.00 1.67 1.53 0.30 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 105 D 8.09 4.40 0.00 2.77 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.64 4.30 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 0.00 107 N 7.30 4.80 0.00 2.60 2.53 0.00 0.00 6.77 7.73 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 0.00 108 L 8.19 4.51 0.00 1.67 1.71 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.88 4.29 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 * Residues marked with a * may have inaccurate shift predictions.