NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1660 8.0249 120.7873 60.8522 39.1814 174.6696 3 Q 4.5246 8.3729 124.0986 52.3576 32.4049 173.2935 4 S 4.9254 9.1025 115.9036 56.7753 67.1476 173.2020 5 Q 4.5656 8.7983 121.6836 54.9478 29.9570 175.8586 6 I 4.4712 8.1052 110.2041 59.9710 39.0793 174.6272 7 N 4.8782 7.8592 120.3380 51.1847 40.5555 174.7796 8 R 3.9702 8.5650 123.7330 59.1350 29.4587 178.2777 9 N 4.3033 8.6711 117.6215 56.0192 38.3714 177.3567 10 I 3.6998 7.4717 121.6001 64.5797 37.2204 178.6550 11 R 4.0424 7.8943 118.2077 58.9041 30.0469 178.9068 12 L 4.0164 8.2505 119.3726 57.6644 41.5541 179.1700 13 D 4.3490 8.5145 119.5033 57.1078 40.6630 178.3433 14 L 3.9171 7.9687 120.7178 58.1265 41.9925 178.7809 15 A 4.1074 8.1770 120.6691 55.4646 18.3049 179.3015 16 D 4.2919 8.0912 116.9002 57.5526 40.8877 179.0093 17 A 4.0261 8.0792 121.2521 55.0418 18.3403 179.6514 18 I 3.6531 8.1161 118.7636 64.7178 37.2315 178.7097 19 L 4.1052 8.1999 119.8297 57.4049 41.2939 179.3535 20 L 3.9221 7.9708 120.4960 58.2096 42.1014 178.9650 21 S 4.0368 8.1615 113.1068 61.2039 62.2513 175.8019 22 K 3.7677 8.4647 122.5361 59.6212 31.8539 178.6007 23 A 3.9364 8.1024 120.8467 55.0615 18.0968 179.7592 24 K 3.9620 8.1883 116.4179 59.0762 32.1960 178.7488 25 K 4.2179 7.9940 115.8872 55.1906 32.9448 175.8459 26 D 4.2801 7.6753 118.1434 55.0992 40.1013 173.0103 27 L 4.7394 7.8034 116.8755 53.5522 43.9377 177.4556 28 S 4.6075 8.7954 116.3680 57.0564 66.2618 175.5078 29 F 4.1507 8.3310 121.2708 60.5614 38.6285 177.8348 30 A 4.1276 8.0784 120.3902 55.1793 18.0923 179.3298 31 E 3.9991 8.2896 115.0304 59.2784 29.8343 179.0681 32 I 3.8423 7.6545 120.2652 64.2385 37.4766 177.8368 33 A 4.2469 8.2554 121.5751 53.4682 18.2233 177.2742 34 D 4.5016 7.6507 117.5276 56.1242 41.4971 176.5661 35 G 4.0514 9.0931 115.1164 45.6981 0.0000 174.1324 36 T 4.0562 7.7304 115.1190 63.9627 68.8178 176.2097 37 G 3.9533 8.3201 107.9941 45.3490 0.0000 172.9953 38 L 4.7163 7.4207 118.0822 52.1599 44.5890 176.7901 39 A 4.2018 8.2610 122.9838 51.9541 20.3293 178.5128 40 E 3.8965 8.8482 122.4398 59.4805 29.7366 179.4274 41 A 3.9208 7.9604 120.2950 54.9015 18.5092 179.2908 42 F 3.8518 8.1399 118.6934 61.4399 39.5845 177.3898 43 V 3.5990 8.1397 118.0218 66.3078 31.3262 178.0702 44 T 3.7675 8.1307 115.3620 66.5704 68.1906 176.4171 45 A 3.8299 7.7976 122.4125 54.9218 18.3133 179.5739 46 A 4.2447 7.5848 120.4423 54.8696 18.2640 179.6482 47 L 3.9858 7.7882 116.3065 57.9325 41.7704 178.9528 48 L 4.4588 7.6689 115.8815 54.6321 41.6357 177.6176 49 G 3.9509 8.1529 107.2529 45.4696 0.0000 174.3476 50 Q 4.5220 8.1435 116.3760 55.4766 30.0999 174.8177 51 Q 4.6182 7.4293 115.9239 54.4627 33.8294 172.9133 52 A 5.0063 8.4580 121.8503 50.4506 21.1084 176.4188 53 L 4.6235 8.6836 122.1898 52.9115 43.4578 175.3061 54 P 4.4366 0.0000 0.0000 62.6519 32.2939 177.1645 55 A 4.0004 8.7130 121.7605 55.6626 18.1706 179.9624 56 D 4.2929 8.1015 116.6027 57.4825 40.9855 178.7630 57 A 3.9923 8.0125 120.6112 54.9722 18.4641 179.3568 58 A 3.9763 8.3354 119.5948 55.4566 18.4040 180.1026 59 R 3.8880 8.3706 116.9860 59.1333 30.1784 179.1098 60 L 3.9315 8.1357 120.3786 58.4352 42.1952 179.5675 61 V 3.8525 8.4679 112.6737 63.9094 31.3517 178.9219 62 G 3.5675 8.3025 105.7745 47.6448 0.0000 175.6828 63 A 4.0075 8.2641 123.5675 54.9049 18.2076 179.8747 64 K 3.9487 7.8661 115.6490 58.7635 32.1716 178.5252 65 L 4.4734 7.6458 116.0091 53.1795 42.6825 175.8418 66 D 4.3892 7.5521 117.3987 55.2575 38.8281 174.0017 67 L 4.2937 8.0419 117.8824 54.1955 42.9525 177.8404 68 D 4.7340 8.2349 121.6215 52.5875 42.1668 177.3207 69 E 3.9680 8.5185 118.1553 59.6160 29.3617 179.1407 70 D 4.3655 8.0926 118.4713 57.5371 40.9224 178.9906 71 S 4.1218 8.6818 115.7889 61.6552 62.6317 176.7502 72 I 3.7072 7.6683 121.3685 64.3114 37.1272 177.8926 73 L 4.2395 8.1653 121.2656 58.2145 41.6735 179.0706 74 L 4.0433 7.8526 118.1250 57.7020 41.7613 179.2274 75 L 4.1417 7.9928 118.6817 56.7735 42.5457 177.4596 76 Q 4.9227 7.4288 119.4805 53.9239 27.4808 175.3439 *78 I 4.0970 7.2749 119.3109 60.4329 39.2777 175.2191 79 P 4.6595 0.0000 0.0000 62.3494 32.7832 176.1467 80 L 4.3310 8.3255 123.4243 54.2217 41.6687 176.3833 81 R 4.2387 8.6817 125.2370 55.3426 31.1192 175.1223 82 G 3.0496 8.2714 108.7265 44.9510 0.0000 173.1260 83 C 4.3159 8.0638 122.3919 58.3949 30.6974 174.2575 84 I 4.0239 7.5207 122.2055 60.4595 37.4990 174.7136 85 D 4.4944 8.9475 125.7919 57.0930 41.4173 176.6444 86 D 4.6312 7.2727 115.1021 53.0268 41.3962 173.6897 87 R 4.2539 8.1860 126.8993 56.4349 29.0702 176.8887 88 I 4.0109 7.1717 116.2510 58.3085 38.8293 174.0472 89 P 4.4124 0.0000 0.0000 63.0169 31.7879 176.4436 90 T 4.2084 8.3188 111.2102 63.1508 69.7823 175.0449 91 D 4.5165 7.9568 121.6378 53.1906 42.3138 173.8370 92 P 4.5036 0.0000 0.0000 66.3264 31.4930 179.1243 93 T 3.8904 7.4755 108.0348 65.0046 68.0846 174.2892 *95 Y 4.6560 7.9003 125.1010 57.7114 40.4433 177.3421 96 R 4.0371 8.0013 117.5796 59.2435 30.0438 178.7419 97 F 4.1502 8.0648 116.5453 60.3714 39.2764 176.5616 98 Y 4.1493 7.9347 118.8642 60.2685 38.7915 178.9518 99 E 4.1096 8.0394 122.6149 55.6200 29.4077 178.5412 *101 L 4.2101 7.9398 118.9305 54.6457 43.8911 179.6147 102 Q 3.8160 7.5690 116.5803 58.5691 28.5135 178.5555 103 V 3.7011 7.7325 118.4975 64.7800 32.0435 176.7409 104 Y 4.7524 7.5435 113.2099 57.4503 38.5701 177.5323 105 G 3.6479 8.2172 109.4903 48.2083 0.0000 176.2883 106 T 4.0111 7.8394 111.9240 64.5999 68.8340 176.7731 107 T 3.9286 7.9205 118.3177 66.3066 68.4707 176.4584 108 L 3.9910 8.4401 121.4641 57.5966 41.6379 179.4086 109 K 3.7897 8.1271 119.2028 59.4954 32.1861 178.6221 110 A 4.0269 8.2518 121.2163 55.3367 18.2595 179.6215 111 L 4.0553 8.3671 117.7293 57.4395 41.6585 179.8697 112 V 3.8075 8.1108 118.8121 66.4171 31.5492 177.8387 113 H 5.0168 8.2446 117.3751 58.3239 28.3033 177.3976 114 E 3.9166 8.1149 120.0975 59.4518 29.6311 178.7983 115 K 3.9568 8.2502 117.1654 58.0887 32.1647 178.2413 116 F 4.2323 8.3763 116.1740 60.6868 41.0832 174.3267 117 G 3.8562 7.6376 102.3413 43.7395 0.0000 172.3221 118 D 4.6658 8.6873 118.7374 54.4802 42.2815 176.3551 119 G 4.1622 7.8858 111.2382 45.3547 0.0000 172.2130 120 I 4.7796 8.1809 114.2580 59.2483 41.8399 174.6406 121 I 4.5687 8.1026 123.5934 59.8114 37.8558 175.9711 122 S 4.1747 9.0641 123.2324 58.2646 62.8919 173.6893 123 A 4.0123 8.4012 127.4484 51.8954 19.1760 176.8037 124 I 4.2962 8.0105 117.4412 63.9710 39.1457 177.0875 125 N 4.7716 7.8034 122.9615 52.1118 37.7094 171.8498 126 F 5.3548 7.9845 122.1802 56.5824 42.8376 172.5154 127 K 4.5980 8.1754 124.2182 55.0553 36.3099 174.7853 128 L 5.6784 8.2963 119.9704 53.3175 44.0480 174.7377 129 D 4.8128 8.3491 117.4965 52.0524 43.3037 173.8124 130 V 4.7521 8.3332 119.0414 61.1307 33.6722 174.7330 131 K 4.7534 9.0787 126.8029 54.4338 35.9925 174.8044 132 K 4.9186 8.5901 124.2068 55.1370 33.7038 175.7028 133 V 4.5878 8.7488 126.5822 60.6502 35.0202 174.4582 134 A 4.3879 8.6670 129.0224 52.0154 19.3397 176.3468 135 D 4.5980 9.0574 122.1857 52.5735 42.1507 175.8422 136 P 4.2650 0.0000 0.0000 65.5941 31.4764 176.9858 137 E 4.2093 8.5633 115.6545 55.9339 29.6729 176.3443 138 G 4.0776 8.4907 108.1085 45.5565 0.0000 175.9061 139 G 3.8906 9.4283 108.3635 44.3855 0.0000 171.7533 140 E 5.1866 8.3502 118.3927 54.8420 33.8790 175.2753 141 R 4.8255 9.3530 120.0427 54.4222 34.4217 174.1978 142 A 5.0647 8.5638 122.8726 50.4697 21.1696 176.5784 143 V 4.2280 8.8553 122.8933 61.3948 33.5250 174.3608 144 I 4.8694 8.4252 129.1725 59.9163 39.3075 175.2450 145 T 4.5455 8.6950 124.3468 61.8417 70.5684 173.4188 146 L 4.7593 8.5450 126.8127 53.2709 43.5492 175.7883 147 D 4.5899 8.5560 123.3208 52.4881 43.7201 174.0917 148 G 4.6484 8.5421 112.1695 43.8413 0.0000 170.8472 149 K 4.3346 8.8907 124.5991 56.1872 33.6173 175.2543 150 Y 4.7500 8.5815 128.2838 57.3586 39.7404 174.1944 151 L 4.4925 8.4458 127.1003 52.0229 44.2648 174.3221 152 P 4.6115 0.0000 0.0000 62.7775 32.8324 175.8249 153 T 4.5286 8.6690 118.9593 62.2437 69.8400 174.1871 154 K 4.8112 8.4910 125.2909 53.4757 35.5175 174.5798 155 P 4.4752 0.0000 0.0000 62.7333 31.9957 176.7878 156 F 4.5135 7.7053 114.4016 57.2521 37.9072 174.4191 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 4.17 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 8.37 4.52 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.64 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 4 S 9.10 4.93 0.00 3.90 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 8.80 4.57 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 6 I 8.11 4.47 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 7.86 4.88 0.00 2.76 2.68 0.00 0.00 6.94 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 8.57 3.97 0.00 2.06 2.31 0.00 3.13 0.00 0.00 3.32 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 9 N 8.67 4.30 0.00 2.89 2.91 0.00 0.00 6.84 7.03 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 10 I 7.47 3.70 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 0.81 0.91 0.00 0.00 11 R 7.89 4.04 0.00 1.80 1.95 0.00 3.28 0.00 0.00 3.52 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 12 L 8.25 4.02 0.00 1.67 1.71 0.91 1.30 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 8.51 4.35 0.00 2.87 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 7.97 3.92 0.00 1.77 1.81 0.92 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.18 4.11 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.09 4.29 0.00 2.88 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 17 A 8.08 4.03 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 18 I 8.12 3.65 2.06 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 0.65 0.95 0.00 0.00 19 L 8.20 4.11 0.00 1.85 1.75 0.99 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.97 3.92 0.00 1.77 1.80 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.16 4.04 0.00 3.92 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 22 K 8.46 3.77 0.00 1.79 1.90 0.00 1.12 0.00 0.00 1.20 0.00 0.00 2.22 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.22 7.81 23 A 8.10 3.94 1.38 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 24 K 8.19 3.96 0.00 1.86 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 1.61 7.81 25 K 7.99 4.22 0.00 1.69 1.81 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.54 7.81 26 D 7.68 4.28 0.00 2.73 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 27 L 7.80 4.74 0.00 1.55 1.44 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.80 4.61 0.00 4.01 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 8.33 4.15 0.00 3.22 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 30 A 8.08 4.13 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 8.29 4.00 0.00 2.12 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 0.00 2.55 2.32 0.00 32 I 7.65 3.84 1.92 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.58 0.95 0.00 0.00 33 A 8.26 4.25 1.43 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 34 D 7.65 4.50 0.00 2.75 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 9.09 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 36 T 7.73 4.06 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 1.35 0.00 0.00 37 G 8.32 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 38 L 7.42 4.72 0.00 1.72 1.67 1.07 0.72 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 39 A 8.26 4.20 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 40 E 8.85 3.90 0.00 2.09 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 2.42 2.48 0.00 41 A 7.96 3.92 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 42 F 8.14 3.85 0.00 3.19 3.23 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 43 V 8.14 3.60 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 1.13 0.00 0.00 1.11 0.00 0.00 44 T 8.13 3.77 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 0.38 0.00 0.00 45 A 7.80 3.83 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 46 A 7.58 4.24 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 47 L 7.79 3.99 0.00 1.86 1.86 1.14 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.67 4.46 0.00 1.53 1.63 0.74 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.15 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 50 Q 8.14 4.52 0.00 1.88 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.63 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 51 Q 7.43 4.62 0.00 1.37 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 2.05 1.51 0.00 52 A 8.46 5.01 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 53 L 8.68 4.62 0.00 1.64 1.65 0.95 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.44 0.00 2.20 2.01 0.00 3.71 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 55 A 8.71 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 4.29 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 8.01 3.99 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 58 A 8.34 3.98 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 8.37 3.89 0.00 1.98 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 1.75 0.00 60 L 8.14 3.93 0.00 1.92 1.85 0.93 1.34 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 8.47 3.85 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 0.78 0.00 0.00 1.01 0.00 0.00 62 G 8.30 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.26 4.01 1.37 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 0.00 0.00 64 K 7.87 3.95 0.00 1.92 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.66 7.81 65 L 7.65 4.47 0.00 1.71 1.66 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.55 4.39 0.00 2.80 2.72 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 67 L 8.04 4.29 0.00 1.62 1.59 0.93 0.91 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 68 D 8.23 4.73 0.00 2.94 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 8.52 3.97 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 8.09 4.37 0.00 2.76 2.72 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 71 S 8.68 4.12 0.00 4.06 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 7.67 3.71 2.00 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 1.57 0.56 0.92 0.00 0.00 73 L 8.17 4.24 0.00 1.83 1.84 0.93 0.58 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 7.85 4.04 0.00 1.82 1.72 0.92 0.86 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 75 L 7.99 4.14 0.00 1.89 1.73 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.43 4.92 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.39 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 *78 I 7.27 4.10 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 0.57 0.92 0.00 0.00 79 P 0.00 4.66 0.00 2.11 2.05 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 1.96 1.93 0.00 80 L 8.33 4.33 0.00 1.81 1.65 0.91 0.93 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 81 R 8.68 4.24 0.00 1.82 1.81 0.00 3.25 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 1.68 1.60 0.00 82 G 8.27 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 0.00 0.00 0.00 83 C 8.06 4.32 0.00 3.05 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 7.52 4.02 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 1.29 0.53 0.89 0.00 0.00 85 D 8.95 4.49 0.00 2.60 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.27 4.63 0.00 2.57 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 8.19 4.25 0.00 1.99 2.06 0.00 3.22 0.00 0.00 3.22 7.29 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 7.17 4.01 1.74 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.72 0.53 0.00 0.00 89 P 0.00 4.41 0.00 2.19 2.05 0.00 3.39 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 2.07 2.08 0.00 90 T 8.32 4.21 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 1.19 0.00 0.00 91 D 7.96 4.52 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 4.50 0.00 2.26 2.13 0.00 3.69 0.00 0.00 3.96 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 7.48 3.89 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 1.35 0.00 0.00 *95 Y 7.90 4.66 0.00 3.22 3.24 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 96 R 8.00 4.04 0.00 1.56 1.75 0.00 3.41 0.00 0.00 3.38 7.59 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 8.06 4.15 0.00 3.07 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 98 Y 7.93 4.15 0.00 2.92 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 99 E 8.04 4.11 0.00 1.95 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 2.29 2.38 0.00 *101 L 7.94 4.21 0.00 1.61 1.58 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.57 3.82 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.92 0.00 0.00 0.00 0.00 0.00 1.72 2.36 0.00 103 V 7.73 3.70 1.88 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 0.14 0.00 0.00 0.82 0.00 0.00 104 Y 7.54 4.75 0.00 3.00 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 0.00 105 G 8.22 3.65 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 0.00 106 T 7.84 4.01 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 1.21 0.00 0.00 107 T 7.92 3.93 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 8.44 3.99 0.00 1.85 1.72 0.94 0.90 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 0.00 109 K 8.13 3.79 0.00 1.83 1.98 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.45 7.81 110 A 8.25 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 4.06 0.00 1.72 1.75 0.94 0.77 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 0.00 112 V 8.11 3.81 2.22 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 0.97 0.00 0.00 0.95 0.00 0.00 113 H 8.24 5.02 0.00 3.26 3.36 0.00 5.69 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 8.11 3.92 0.00 1.98 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 2.29 2.34 0.00 115 K 8.25 3.96 0.00 1.44 1.23 0.00 1.71 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.56 7.81 116 F 8.38 4.23 0.00 2.48 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 7.64 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 0.00 118 D 8.69 4.67 0.00 2.79 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 0.00 119 G 7.89 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 0.00 0.00 0.00 120 I 8.18 4.78 1.85 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 1.17 0.81 0.91 0.00 0.00 121 I 8.10 4.57 1.82 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.69 0.98 0.00 0.00 122 S 9.06 4.17 0.00 3.83 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 A 8.40 4.01 0.97 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 0.00 124 I 8.01 4.30 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 1.15 0.96 0.93 0.00 0.00 125 N 7.80 4.77 0.00 2.80 2.75 0.00 0.00 6.50 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 7.98 5.35 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 0.00 127 K 8.18 4.60 0.00 1.63 1.66 0.00 1.21 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.12 1.14 7.81 128 L 8.30 5.68 0.00 1.72 1.43 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.35 4.81 0.00 2.66 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 8.33 4.75 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 0.88 0.00 0.00 0.92 0.00 0.00 131 K 9.08 4.75 0.00 1.71 1.65 0.00 1.70 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.48 7.81 132 K 8.59 4.92 0.00 1.78 1.71 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.44 7.81 133 V 8.75 4.59 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 0.91 0.00 0.00 0.94 0.00 0.00 134 A 8.67 4.39 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 9.06 4.60 0.00 2.67 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 4.27 0.00 2.08 2.10 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 137 E 8.56 4.21 0.00 2.05 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 2.33 2.25 0.00 138 G 8.49 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 0.00 139 G 9.43 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 0.00 140 E 8.35 5.19 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 9.35 4.83 0.00 1.67 1.78 0.00 3.22 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 1.53 1.55 0.00 142 A 8.56 5.06 1.27 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 0.00 143 V 8.86 4.23 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 1.05 0.00 0.00 0.94 0.00 0.00 144 I 8.43 4.87 2.01 0.00 0.00 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 1.43 0.85 0.97 0.00 0.00 145 T 8.70 4.55 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 1.18 0.00 0.00 146 L 8.55 4.76 0.00 1.65 1.96 1.02 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.56 4.59 0.00 2.56 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 8.54 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 8.89 4.33 0.00 1.93 1.70 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.44 7.81 150 Y 8.58 4.75 0.00 2.41 2.88 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 0.00 151 L 8.45 4.49 0.00 1.41 1.35 0.85 1.05 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 0.00 152 P 0.00 4.61 0.00 2.05 1.95 0.00 3.46 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.90 0.00 153 T 8.67 4.53 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 1.31 0.00 0.00 154 K 8.49 4.81 0.00 1.76 1.73 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.44 7.81 155 P 0.00 4.48 0.00 2.02 1.91 0.00 3.66 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 2.03 2.06 0.00 156 F 7.71 4.51 0.00 3.09 2.92 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 * Residues marked with a * may have inaccurate shift predictions.