NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 4.6639 8.3249 119.3905 57.2609 40.3986 173.9274 4 L 4.4872 8.3014 123.5530 51.4216 43.3153 175.0801 5 R 4.3517 8.6886 119.2555 55.6137 32.0812 177.0623 6 Q 4.0323 8.7459 121.9145 59.7068 29.5030 179.7362 7 E 4.1232 8.3390 119.1225 59.5545 29.4956 178.9371 8 D 4.4546 8.4065 119.1262 57.0588 40.9630 178.5738 9 F 4.2292 8.3126 120.6800 60.8071 39.3412 176.9892 10 A 4.3607 8.4280 120.7055 55.6079 18.0427 179.6233 11 T 3.6098 7.5031 112.5620 66.6848 68.7987 176.5857 12 V 3.5947 7.7758 120.0298 66.1709 31.3361 178.1700 13 V 3.3578 7.4689 116.9359 65.9660 31.3879 177.6665 14 R 3.7101 7.7252 117.7564 58.6165 29.8910 177.7298 15 S 4.5995 7.5620 112.6862 58.2496 64.4524 173.9354 16 T 4.6481 6.8573 113.7756 59.3436 70.1756 171.0196 17 P 4.4448 0.0000 0.0000 62.9210 32.0744 176.0141 18 L 4.3233 8.9490 122.8481 54.4041 43.4402 175.6862 19 V 5.0549 8.3235 120.9846 61.3440 33.9260 174.5717 20 S 5.1447 9.1621 121.3518 56.7504 67.3306 172.4389 21 L 5.3384 8.8306 120.6536 53.1920 44.1014 175.2931 22 D 5.0391 8.9876 123.1971 52.3518 43.9763 175.0320 23 F 5.4388 8.6780 122.0221 55.9950 41.2098 175.6217 24 I 4.0204 8.7278 126.3868 60.1409 37.8619 174.7600 25 V 4.4095 8.2559 128.0057 61.0565 33.5375 173.6924 26 E 5.0740 9.1583 129.9633 54.6671 32.0417 175.3937 27 N 5.3962 8.3486 123.6398 50.5616 39.9319 175.2057 28 S 3.9796 8.3211 112.8685 62.1543 62.8124 175.5623 29 R 4.1265 7.8407 115.8261 55.7669 29.9908 176.6488 30 G 3.9763 7.6273 105.7581 45.6824 0.0000 173.6342 31 E 4.6627 8.2660 118.9652 54.7179 32.1220 175.0780 32 F 6.1450 9.4762 120.6953 54.7409 42.8942 174.5692 33 L 3.7733 8.3519 124.7561 54.7455 43.1327 175.4740 34 L 5.3200 8.9291 125.4021 52.9748 46.2024 175.6637 35 G 4.1265 9.5317 109.1507 43.9824 0.0000 171.7674 36 K 3.5968 7.6699 125.4960 55.3877 32.9092 176.5014 37 R 4.2901 8.8308 127.7263 56.1412 30.9199 177.0017 38 T 4.4503 8.5751 112.9394 61.7541 70.0554 173.4833 39 N 5.1758 7.7808 118.0311 51.1240 43.0223 174.3193 40 R 4.0480 8.5436 119.0220 55.7478 30.7125 175.2157 41 P 4.6849 0.0000 0.0000 61.8875 32.7192 175.0426 42 A 3.9604 8.5846 118.1709 52.5406 16.6247 177.4756 43 Q 4.0967 8.1902 120.0152 59.1216 29.6116 176.2796 44 G 3.9541 9.2353 113.8869 45.3839 0.0000 173.3670 45 Y 4.5928 7.8273 117.0403 57.4391 39.8732 174.4541 46 W 5.1687 9.4225 121.7031 55.4618 31.2157 175.6421 47 F 5.2703 9.3762 122.5929 55.2525 42.8369 175.0541 48 V 4.4501 8.4374 114.3741 60.5659 32.2818 174.7064 49 P 4.5661 0.0000 0.0000 62.6424 32.7342 176.3685 50 G 3.3809 7.9217 107.4414 47.8553 0.0000 171.4282 51 G 4.2107 7.2767 105.9517 45.6721 0.0000 173.1916 52 R 4.9717 8.6492 116.8867 55.4043 30.9542 176.3101 53 V 3.9855 9.2707 122.8251 62.8689 32.4000 175.7748 54 Q 4.5234 8.7578 126.0589 53.6496 30.5643 175.0101 55 K 3.8921 8.4666 120.2905 58.5575 32.2847 176.0179 56 D 4.4231 8.7668 123.3938 54.9755 38.5880 172.5718 57 E 4.4986 7.8425 121.0659 54.7915 30.9524 175.9854 58 T 4.3488 8.1910 116.3087 61.3257 71.0991 175.5672 59 L 4.0830 8.4510 121.9611 58.0394 41.5447 179.6537 60 E 3.9118 8.1855 117.7938 59.4757 29.4371 179.1769 61 A 4.0259 8.1785 120.5272 54.9198 18.4072 179.5188 62 A 4.3590 8.2328 120.7972 54.7487 18.4226 179.5056 63 F 4.0365 8.5748 119.4275 61.6312 39.3323 177.2160 64 E 4.3604 8.0733 119.4100 58.9057 29.1828 179.3900 65 R 3.9097 8.2519 118.8736 59.5267 30.2040 178.6172 66 L 4.1162 8.5065 119.4880 57.7822 41.6735 179.4868 67 T 3.6981 7.9703 110.1668 64.7235 68.5291 176.4386 68 M 4.0072 7.8032 120.9430 58.2783 32.1028 178.1179 69 A 3.9621 7.9827 119.8355 55.3244 18.6991 179.0992 70 E 4.2169 8.5681 116.0306 58.4731 30.1061 178.3307 71 L 4.5926 8.1018 117.2609 53.5140 42.9532 178.2367 72 G 3.6842 8.1883 106.1850 45.3325 0.0000 173.0148 73 L 4.4105 7.4416 120.0755 52.7005 44.1589 175.8837 74 R 4.0193 8.6430 127.2836 56.0659 29.9711 175.2356 75 L 4.7325 8.3187 126.1161 51.9748 44.4944 174.9233 76 P 4.5966 0.0000 0.0000 62.0067 32.4931 177.0857 77 I 2.0000 8.0269 119.6830 63.5539 37.8937 178.1447 78 T 3.8412 7.5131 108.9368 63.9404 68.7796 175.2576 79 A 4.0609 7.7858 124.4157 53.7444 18.6865 177.3812 80 G 4.4030 7.2462 103.2857 45.1224 0.0000 173.7067 81 Q 4.7295 9.7073 125.8524 54.2589 30.2143 174.6496 82 F 4.1648 9.2852 129.3692 58.8247 39.9134 174.2118 83 Y 4.4492 7.8861 128.7005 57.1172 39.2799 176.2082 84 G 3.5084 6.3148 101.8878 44.5502 0.0000 172.7068 85 V 4.7959 7.8026 118.8981 61.1043 32.8220 175.0745 86 W 4.9214 9.6851 128.1386 54.8890 32.8274 174.7269 87 Q 4.8603 8.5916 117.9225 55.0700 30.9100 174.0405 88 H 4.8103 9.0870 121.0824 53.7468 31.8126 172.6637 89 F 5.3808 8.5841 121.7505 55.8421 41.4265 174.3877 90 Y 4.8591 9.4954 121.4849 56.1551 40.5002 176.3370 91 D 4.6323 9.2800 122.9042 55.5480 41.5925 174.4736 92 D 5.0774 7.8418 117.4030 52.4728 42.6322 173.4412 93 N 5.1376 8.6866 114.4604 50.7506 40.4379 175.0207 94 F 4.2969 9.0286 113.8579 59.6211 37.5676 176.5417 95 S 4.3189 8.0734 112.1311 56.6105 63.7538 174.2941 96 G 3.5163 6.4125 109.0492 45.5173 0.0000 175.3086 97 T 4.5363 7.9620 117.0191 61.3216 69.2056 174.9096 98 D 4.5110 7.7954 122.7279 55.8859 39.9066 175.5518 99 F 5.1376 6.9474 112.2608 55.7491 41.1578 174.0597 100 T 4.6703 8.6897 109.9390 61.5350 70.5507 173.8319 101 T 4.8318 9.2471 118.8871 62.0717 72.0207 172.9025 102 H 5.3786 8.7014 124.1974 54.7521 33.1257 171.2580 103 Y 5.0757 9.3883 123.8619 56.2301 40.9027 174.7987 104 V 4.5743 9.0183 124.5441 61.5126 33.4762 174.5097 105 V 4.9865 9.0667 128.2865 61.1380 34.4193 174.0362 106 L 5.0498 9.1960 128.6166 53.4124 43.2621 175.9698 107 G 4.1370 8.7118 112.3478 45.4750 0.0000 172.1630 108 F 5.6009 9.3895 121.3587 55.7224 43.4293 173.8363 109 R 5.0179 9.3432 123.0973 54.6682 32.3548 175.3412 110 F 5.2014 8.3399 116.7807 56.2430 41.8070 172.5052 111 R 5.1602 8.8252 119.6453 54.8910 31.9599 175.1933 112 V 4.6823 9.1006 117.8366 59.4521 36.8530 174.7758 113 S 4.3576 8.4670 116.7985 57.2237 62.6742 174.1270 114 E 3.7835 8.7239 129.4573 59.4854 29.2490 178.4860 115 E 4.1503 7.9386 115.1925 58.2070 29.6629 177.2200 116 E 4.2938 7.8752 117.3337 56.7698 30.0555 176.5380 117 L 4.5062 7.4246 119.2174 53.9832 42.9784 177.2513 118 L 4.3310 7.9198 122.8555 53.1152 40.4930 175.2234 *126 D 4.4574 7.5980 121.8151 53.2741 41.6565 174.2292 127 Y 5.5558 8.5867 114.1445 56.8470 41.8797 175.6084 128 R 4.7953 9.1435 118.9773 54.7987 35.3191 174.2080 129 W 5.1546 8.8805 122.6092 55.4910 30.3299 175.6576 130 L 5.0044 8.9450 125.2629 52.6623 45.0190 177.0054 131 T 4.3642 8.4964 112.7200 61.2023 69.8229 175.4550 132 S 3.6987 8.8650 117.7899 61.7632 62.6458 176.3569 133 D 4.2983 8.0471 120.8819 56.8658 40.7531 178.2710 134 A 4.0669 7.9346 121.3414 55.0903 18.3861 179.5732 135 L 3.7907 8.0232 118.6094 59.0892 40.0818 179.5378 136 L 3.8921 7.9469 118.7492 57.0669 41.6955 177.8161 137 A 4.2216 7.5165 119.4762 52.7759 18.9544 177.1479 138 S 4.3867 7.2936 111.5914 57.5385 63.0244 173.8038 139 D 4.6378 8.5558 125.8663 55.4028 41.3793 176.7362 140 N 4.5252 7.9307 116.3523 53.7977 39.5215 174.9828 141 V 4.2984 7.5858 118.4563 62.0005 32.2491 175.1531 142 H 4.0531 8.4002 127.1687 55.5655 30.5461 175.7409 143 A 3.9067 8.0429 126.2389 55.5523 17.8426 179.9923 144 N 4.1064 8.2478 113.5325 56.1853 38.3378 177.1404 145 S 4.4590 7.7566 115.9833 61.1763 63.3163 176.5246 146 R 4.0636 8.1798 120.6677 59.2343 29.8058 178.6753 147 A 4.0383 7.8206 120.5450 55.4669 18.0349 179.1897 148 Y 3.7847 6.8085 112.9958 60.1883 37.8950 177.1620 149 F 4.7758 8.3715 116.3365 56.8194 40.0716 174.7421 150 L 4.7492 7.7876 121.6213 52.6544 43.1710 177.4801 151 A 4.0433 8.7143 126.3297 55.2596 18.6347 179.2764 152 E 4.0687 8.2247 115.1342 58.7812 29.8729 177.7787 153 K 4.3136 7.6648 117.3492 58.2980 32.3358 178.2996 154 R 3.9213 7.7805 116.5278 58.0784 30.2963 176.6630 155 T 4.0179 7.6298 109.0895 62.5765 69.1651 174.9454 156 G 3.7780 8.7642 113.8584 45.1149 0.0000 173.3375 157 V 3.3137 6.9148 119.9782 61.4167 31.7399 173.5978 158 P 4.3416 0.0000 0.0000 64.1288 31.5876 177.3971 159 G 4.2683 9.1164 111.0639 45.2399 0.0000 173.2557 160 L 4.1524 7.2652 123.9380 54.6741 41.8620 176.1679 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 F 8.32 4.66 0.00 3.07 3.03 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 0.00 0.00 0.00 4 L 8.30 4.49 0.00 1.70 1.65 1.03 0.65 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 5 R 8.69 4.35 0.00 2.23 2.09 0.00 3.08 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 6 Q 8.75 4.03 0.00 2.34 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.94 0.00 0.00 0.00 0.00 0.00 2.55 2.73 0.00 7 E 8.34 4.12 0.00 2.15 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 2.45 2.53 0.00 8 D 8.41 4.45 0.00 2.90 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 9 F 8.31 4.23 0.00 2.99 2.93 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 10 A 8.43 4.36 1.64 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 0.00 0.00 11 T 7.50 3.61 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 1.15 0.00 0.00 12 V 7.78 3.59 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 0.85 0.00 0.00 1.01 0.00 0.00 13 V 7.47 3.36 2.18 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 1.11 0.00 0.00 0.07 0.00 0.00 14 R 7.73 3.71 0.00 1.45 1.70 0.00 3.09 0.00 0.00 3.01 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.52 0.00 15 S 7.56 4.60 0.00 3.81 3.82 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 16 T 6.86 4.65 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 1.21 0.00 0.00 17 P 0.00 4.44 0.00 1.93 1.48 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 1.93 1.95 0.00 18 L 8.95 4.32 0.00 0.99 1.47 0.38 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.32 5.05 2.15 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 1.13 0.00 0.00 0.97 0.00 0.00 20 S 9.16 5.14 0.00 4.01 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 21 L 8.83 5.34 0.00 1.30 1.63 1.21 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.99 5.04 0.00 2.54 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 0.00 0.00 0.00 23 F 8.68 5.44 0.00 2.84 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 24 I 8.73 4.02 1.39 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 0.21 0.29 0.60 0.00 0.00 25 V 8.26 4.41 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 1.15 0.00 0.00 0.78 0.00 0.00 26 E 9.16 5.07 0.00 2.06 1.74 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 1.93 1.47 0.00 27 N 8.35 5.40 0.00 2.21 1.42 0.00 0.00 6.86 8.20 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 28 S 8.32 3.98 0.00 3.69 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 29 R 7.84 4.13 0.00 1.67 1.87 0.00 3.18 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.42 0.00 30 G 7.63 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 31 E 8.27 4.66 0.00 2.12 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 2.26 2.21 0.00 32 F 9.48 6.14 0.00 2.80 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 33 L 8.35 3.77 0.00 0.30 1.16 0.27 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.93 5.32 0.00 1.73 1.78 0.86 0.63 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 35 G 9.53 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 0.00 0.00 0.00 0.00 36 K 7.67 3.60 0.00 0.79 0.80 0.00 1.57 0.00 0.00 1.15 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.97 0.73 7.81 37 R 8.83 4.29 0.00 2.11 1.84 0.00 2.51 0.00 0.00 2.83 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 38 T 8.58 4.45 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 1.06 0.00 0.00 39 N 7.78 5.18 0.00 2.53 2.72 0.00 0.00 7.00 7.66 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 40 R 8.54 4.05 0.00 1.93 1.95 0.00 3.25 0.00 0.00 3.37 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 41 P 0.00 4.68 0.00 1.79 2.11 0.00 3.31 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.68 0.00 42 A 8.58 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.19 4.10 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.48 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 44 G 9.24 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 0.00 0.00 0.00 45 Y 7.83 4.59 0.00 3.21 2.56 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 46 W 9.42 5.17 0.00 3.11 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 47 F 9.38 5.27 0.00 2.94 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 48 V 8.44 4.45 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 0.92 0.00 0.00 1.03 0.00 0.00 49 P 0.00 4.57 0.00 2.33 2.13 0.00 4.02 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 50 G 7.92 3.38 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 0.00 0.00 0.00 0.00 51 G 7.28 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 0.00 0.00 0.00 0.00 52 R 8.65 4.97 0.00 2.14 2.16 0.00 3.16 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 53 V 9.27 3.99 2.15 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 0.81 0.00 0.00 1.04 0.00 0.00 54 Q 8.76 4.52 0.00 2.16 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 55 K 8.47 3.89 0.00 1.68 1.71 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.52 7.81 56 D 8.77 4.42 0.00 2.84 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 57 E 7.84 4.50 0.00 2.01 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 2.27 2.24 0.00 58 T 8.19 4.35 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 1.22 0.00 0.00 59 L 8.45 4.08 0.00 1.78 1.89 1.04 1.00 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 60 E 8.19 3.91 0.00 2.05 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 0.00 2.37 2.38 0.00 61 A 8.18 4.03 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 62 A 8.23 4.36 1.48 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 0.00 0.00 63 F 8.57 4.04 0.00 3.11 3.10 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 64 E 8.07 4.36 0.00 2.18 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 2.58 2.43 0.00 65 R 8.25 3.91 0.00 1.89 2.17 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 66 L 8.51 4.12 0.00 2.00 1.95 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 67 T 7.97 3.70 4.03 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 0.00 0.00 -0.20 0.00 0.00 68 M 7.80 4.01 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 69 A 7.98 3.96 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 70 E 8.57 4.22 0.00 2.21 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 2.47 2.61 0.00 71 L 8.10 4.59 0.00 1.82 1.69 0.99 0.98 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 72 G 8.19 3.68 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 0.00 0.00 0.00 73 L 7.44 4.41 0.00 1.52 1.49 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.64 4.02 0.00 1.78 1.82 0.00 3.23 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 75 L 8.32 4.73 0.00 1.46 1.36 0.47 0.58 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 76 P 0.00 4.60 0.00 2.12 2.12 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.89 0.00 77 I 8.03 2.00 1.46 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 -0.01 0.72 0.00 0.00 78 T 7.51 3.84 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 1.14 0.00 0.00 79 A 7.79 4.06 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 80 G 7.25 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 81 Q 9.71 4.73 0.00 2.29 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.86 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 82 F 9.29 4.16 0.00 3.08 3.05 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 83 Y 7.89 4.45 0.00 2.88 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 84 G 6.31 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.80 4.80 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 1.17 0.00 0.00 86 W 9.69 4.92 0.00 3.19 3.10 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 87 Q 8.59 4.86 0.00 1.68 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.52 0.00 88 H 9.09 4.81 0.00 3.10 2.92 0.00 5.58 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 89 F 8.58 5.38 0.00 2.86 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 90 Y 9.50 4.86 0.00 2.94 3.05 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 91 D 9.28 4.63 0.00 2.71 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 92 D 7.84 5.08 0.00 2.96 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 93 N 8.69 5.14 0.00 2.86 2.79 0.00 0.00 6.63 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 94 F 9.03 4.30 0.00 3.27 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 95 S 8.07 4.32 0.00 3.57 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 96 G 6.41 3.52 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 0.00 0.00 0.00 0.00 97 T 7.96 4.54 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 1.17 0.00 0.00 98 D 7.80 4.51 0.00 2.92 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 99 F 6.95 5.14 0.00 3.06 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 0.00 100 T 8.69 4.67 4.50 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 1.29 0.00 0.00 101 T 9.25 4.83 4.51 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 0.00 0.00 0.00 1.12 0.00 0.00 102 H 8.70 5.38 0.00 3.33 3.14 0.00 5.64 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 9.39 5.08 0.00 2.93 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 0.00 104 V 9.02 4.57 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 0.98 0.00 0.00 0.92 0.00 0.00 105 V 9.07 4.99 2.15 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 0.98 0.00 0.00 0.81 0.00 0.00 106 L 9.20 5.05 0.00 2.03 1.95 1.18 0.89 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 0.00 107 G 8.71 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 0.00 108 F 9.39 5.60 0.00 3.68 3.58 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 0.00 0.00 0.00 0.00 109 R 9.34 5.02 0.00 1.55 1.71 0.00 2.21 0.00 0.00 2.42 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 110 F 8.34 5.20 0.00 3.14 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 0.00 111 R 8.83 5.16 0.00 1.90 1.90 0.00 3.15 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.78 0.00 112 V 9.10 4.68 2.20 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 0.96 0.00 0.00 1.17 0.00 0.00 113 S 8.47 4.36 0.00 3.82 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 0.00 114 E 8.72 3.78 0.00 1.16 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 2.24 1.63 0.00 115 E 7.94 4.15 0.00 1.95 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 2.24 2.22 0.00 116 E 7.88 4.29 0.00 2.18 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 2.30 2.26 0.00 117 L 7.42 4.51 0.00 1.67 1.79 1.22 1.14 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 0.00 118 L 7.92 4.33 0.00 1.62 1.60 0.99 1.03 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 *126 D 7.60 4.46 0.00 2.86 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 0.00 127 Y 8.59 5.56 0.00 2.86 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 0.00 128 R 9.14 4.80 0.00 1.45 1.60 0.00 2.21 0.00 0.00 2.79 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 129 W 8.88 5.15 0.00 3.16 3.25 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 0.00 130 L 8.94 5.00 0.00 1.50 1.45 0.69 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 131 T 8.50 4.36 4.28 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 1.22 0.00 0.00 132 S 8.86 3.70 0.00 4.04 4.16 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 0.00 133 D 8.05 4.30 0.00 2.67 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 0.00 134 A 7.93 4.07 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 0.00 135 L 8.02 3.79 0.00 1.72 1.76 0.56 -0.26 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 0.00 136 L 7.95 3.89 0.00 1.65 1.76 1.02 1.21 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 0.00 137 A 7.52 4.22 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 0.00 138 S 7.29 4.39 0.00 3.74 3.82 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 0.00 139 D 8.56 4.64 0.00 2.68 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 0.00 140 N 7.93 4.53 0.00 2.67 3.02 0.00 0.00 6.53 7.20 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 0.00 141 V 7.59 4.30 2.17 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 0.72 0.00 0.00 0.81 0.00 0.00 142 H 8.40 4.05 0.00 2.28 2.39 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.04 3.91 1.17 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 0.00 0.00 144 N 8.25 4.11 0.00 2.71 2.25 0.00 0.00 6.91 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 S 7.76 4.46 0.00 3.94 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 0.00 146 R 8.18 4.06 0.00 1.96 2.00 0.00 3.25 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 147 A 7.82 4.04 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 0.00 148 Y 6.81 3.78 0.00 2.36 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 0.00 0.00 0.00 0.00 149 F 8.37 4.78 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.79 4.75 0.00 1.78 1.62 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 151 A 8.71 4.04 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 0.00 152 E 8.22 4.07 0.00 1.96 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 2.30 2.29 0.00 153 K 7.66 4.31 0.00 2.21 2.09 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.62 7.81 154 R 7.78 3.92 0.00 1.93 1.90 0.00 3.17 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 155 T 7.63 4.02 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 1.19 0.00 0.00 156 G 8.76 3.78 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 0.00 0.00 0.00 157 V 6.91 3.31 1.54 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 -0.06 0.00 0.00 -0.21 0.00 0.00 158 P 0.00 4.34 0.00 2.20 1.94 0.00 3.63 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 2.05 2.02 0.00 159 G 9.12 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 0.00 0.00 0.00 0.00 160 L 7.27 4.15 0.00 1.53 1.32 0.56 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.