NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8184 8.3393 109.7288 45.1361 0.0000 172.7501 2 I 3.9116 8.0154 114.0829 59.6936 38.6377 173.4746 3 S 4.5305 8.6300 115.9795 56.4985 67.5137 175.0010 4 Y 4.2578 8.6777 120.6817 58.5056 37.5987 177.1130 5 S 4.2393 8.9839 120.9368 59.9963 63.5411 174.5165 6 V 4.3463 7.5465 119.3854 60.9394 33.5778 173.9201 7 E 4.5459 8.5070 122.4875 54.4679 31.1569 175.4361 8 A 4.6197 8.2809 125.0010 50.2027 22.2550 174.8462 9 D 4.7652 8.0909 117.9118 51.7014 42.0712 174.1985 10 P 4.3738 0.0000 0.0000 66.1414 31.1416 177.5163 11 D 4.6413 8.2703 117.8724 56.7121 41.0502 176.2350 12 T 5.1716 8.2281 110.5641 59.7206 68.5971 173.6032 13 T 4.1907 7.5680 111.5113 62.4739 70.3579 171.8257 14 A 4.8766 8.8215 129.2570 50.0945 22.6012 175.1274 15 K 5.2057 8.1187 116.7993 54.9907 36.6002 175.7325 16 A 4.6188 8.5748 119.6345 51.7664 22.8982 175.5211 17 M 5.3317 8.7452 119.7544 53.6076 36.7659 174.5344 18 L 4.8283 8.4959 120.0593 53.0484 45.2396 175.9093 19 R 5.5180 8.2979 120.4935 54.2752 33.5112 175.7343 20 E 3.7210 8.7693 119.5699 56.9529 27.2877 176.1098 21 R 4.0837 8.2273 121.1306 56.3698 31.5691 176.9584 22 Q 4.9383 8.9061 123.4887 54.9834 28.6858 174.6762 23 M 4.5808 8.2821 119.2388 53.9112 33.7783 174.6271 24 S 4.0125 8.6503 114.4147 59.1816 63.1030 175.1764 25 F 4.5405 8.8803 129.1616 61.1188 38.9762 177.4243 26 K 3.6292 7.7995 117.9340 59.3581 31.7977 178.8725 27 H 4.0874 8.1794 116.7479 58.5799 28.5247 177.9870 28 S 4.0591 7.6992 115.7565 61.6354 62.7912 176.5184 29 K 3.6436 7.4419 120.5078 59.6230 31.7712 178.9375 30 A 3.7958 7.2948 119.0316 55.1337 18.3624 179.4493 31 I 3.4207 7.6129 117.8057 64.9049 37.2232 177.8635 32 A 3.9244 8.0187 121.2491 55.3273 17.8661 179.2770 33 R 3.7096 7.9508 116.3756 59.6024 30.3110 178.1934 34 E 3.9436 8.3033 117.9601 58.8640 30.1628 178.0147 35 I 3.9044 8.0999 111.2900 60.1566 38.2806 175.5317 36 K 4.1387 7.2355 123.0963 57.8876 32.4999 176.7154 37 G 3.9507 8.6354 114.4851 45.3436 0.0000 173.8298 38 K 4.3735 7.5738 118.9643 56.0235 33.3894 175.5634 39 T 4.7880 8.9606 116.9160 62.3647 70.6516 176.1639 40 A 4.0722 8.8058 128.4845 55.4793 18.5315 180.5483 41 G 3.5499 8.2328 104.1176 47.9547 0.0000 175.7989 42 E 4.0225 8.1357 120.4714 58.9643 29.4454 179.0854 43 A 4.0463 8.5578 121.1091 55.1883 18.4599 179.6362 44 V 3.6220 7.7796 116.6186 66.4900 31.7501 177.7727 45 D 4.3971 8.2289 118.3972 57.9370 40.1422 177.8969 46 Y 4.0530 8.4821 120.1424 60.7392 38.7275 177.9006 47 L 3.8919 9.1131 120.0926 58.2273 41.7572 179.7318 48 E 3.9711 8.5073 118.0976 59.0779 29.3701 179.0769 49 A 3.9855 7.7554 120.4950 54.5278 18.1481 180.0109 50 V 4.1936 7.1693 117.7607 65.8991 31.7800 178.1644 51 I 3.8018 7.6484 117.9566 63.9431 36.8723 177.6597 52 E 4.1297 7.4752 120.0080 58.7235 29.7202 177.2314 53 G 3.7087 7.8372 104.2917 45.3695 0.0000 173.8978 54 D 4.5744 7.9197 118.9731 55.0113 41.7670 176.2698 55 Q 4.5220 7.9004 120.3250 53.3675 31.6854 171.5062 56 P 4.4684 0.0000 0.0000 61.1533 33.6072 174.9848 57 V 4.2295 8.1870 122.9803 60.3994 32.8076 173.3078 58 P 4.6863 0.0000 0.0000 63.2891 31.8153 176.1178 59 F 4.7867 9.0744 124.9418 56.4510 38.5961 175.6812 60 K 3.6015 8.4483 123.7143 56.9241 33.1433 177.8210 61 Q 4.2103 7.8608 117.7347 57.9097 29.9212 176.1964 62 H 4.7499 7.5224 117.1465 54.1989 27.4639 174.1403 63 N 5.2077 8.1117 115.9983 51.7454 38.5512 175.0399 64 S 4.3744 8.1722 114.3691 60.2728 63.0591 174.6746 65 G 3.9609 8.9933 114.0575 45.0843 0.0000 173.3388 66 V 3.7692 7.6451 120.4425 62.3949 30.6731 175.8711 67 G 3.8378 8.4918 114.3624 46.1582 0.0000 172.4913 68 H 4.8521 8.7033 120.1575 55.7054 29.9638 174.8616 69 K 4.6560 9.2071 122.3584 54.3738 33.9885 177.7079 70 S 4.1483 8.9684 120.1165 61.1699 63.0998 175.6193 71 K 4.1227 7.9017 118.4538 57.7018 32.1749 177.0560 72 V 3.7599 7.4996 119.9096 62.3940 31.9237 174.3890 73 D 4.7122 8.8501 126.8906 53.8492 42.2309 177.0163 74 G 4.1307 9.3367 114.9659 45.1955 0.0000 171.7881 75 W 5.2418 7.5445 126.2764 55.8483 34.4209 173.1708 76 D 4.3612 6.9344 114.3950 54.3416 40.7019 175.4144 77 A 4.7439 7.0082 121.4576 50.4969 20.7618 176.1618 78 G 3.8223 7.3883 104.6595 46.3401 0.0000 172.9529 79 R 4.0251 6.5721 117.5300 54.6591 34.4515 173.8270 80 Y 4.6852 8.0489 111.7206 56.3509 38.1122 174.6772 81 P 4.5994 0.0000 0.0000 62.6468 29.9169 177.0588 82 E 4.1226 8.4298 122.2523 58.4664 30.0676 178.9677 83 K 3.9102 8.0647 120.4135 59.5351 32.4215 178.3828 84 A 4.1966 8.1385 120.5019 55.4371 18.2363 179.6910 85 S 4.1701 8.2568 113.7140 61.7486 62.5098 176.9508 86 K 4.0434 8.2807 120.9798 59.3974 31.8675 179.1515 87 A 4.1331 8.1489 120.5638 54.7833 18.2558 179.5903 88 F 3.9116 8.2431 116.6345 60.3080 39.0012 177.9546 89 L 4.0923 8.1543 118.9734 57.6850 41.3257 179.2671 90 D 4.3351 7.7962 118.5370 57.2302 40.7188 178.4005 91 L 3.9172 7.6732 120.4834 58.0623 42.0203 179.1516 92 L 3.9735 8.1985 119.1837 57.8743 41.6003 178.7612 93 E 3.9953 8.7517 119.5858 59.4941 29.3015 178.6222 94 N 4.2846 8.2768 116.5943 56.6435 39.2622 176.8680 95 A 3.9781 8.2665 122.5925 55.1016 18.4216 179.5436 96 V 3.8554 8.5951 116.7754 65.1337 31.5709 178.6923 97 G 3.5796 7.7904 105.6528 47.9740 0.0000 175.6375 98 N 4.4354 8.2870 118.0652 55.7958 38.7811 176.7576 99 A 4.2395 7.8643 121.6991 55.9811 18.3556 179.4648 100 D 4.7097 8.1617 117.2902 57.0060 40.7611 178.0849 101 H 4.5655 7.9426 114.4577 57.1675 28.9140 175.0699 102 Q 4.4252 7.7270 117.8120 55.7387 29.9144 175.8260 103 G 3.6416 8.2321 104.7297 46.6393 0.0000 174.3842 104 F 4.8341 7.3499 114.7913 55.8017 41.5507 175.2435 105 D 4.9596 8.4103 122.0572 51.9193 39.8788 176.2520 106 G 3.9171 8.9496 112.9688 48.4844 0.0000 173.0676 107 E 3.9961 8.3989 119.6103 58.5036 29.5921 178.6003 108 A 4.4696 7.7016 118.1513 52.2485 19.4091 176.9406 109 M 4.3759 8.2517 117.6734 55.6094 33.6609 175.6973 110 T 4.6656 8.7604 118.7684 62.8427 70.9910 174.7562 111 I 4.3477 8.5045 127.1441 60.3769 35.9996 176.2942 112 K 4.0872 8.7442 128.9005 59.3527 33.0843 176.2836 113 H 4.9961 8.0407 117.8031 55.1163 33.3640 173.0413 114 V 5.3329 8.2383 122.9497 61.5329 34.0868 172.7887 115 A 4.7518 8.5652 125.1928 50.5615 22.6074 174.4837 116 A 5.3147 8.5997 122.4704 51.0092 21.7610 176.3005 117 H 4.8464 9.2713 117.0481 53.9427 33.3793 172.8568 118 K 4.0148 7.8501 125.1714 56.2988 31.9539 176.3810 119 V 3.9919 9.1044 127.2678 61.6590 33.4738 176.5956 120 G 3.5671 8.2065 112.6986 45.2700 0.0000 173.7662 121 E 3.3471 8.4548 107.0732 57.1129 26.2419 172.3939 *125 R 4.9897 8.2930 124.7792 54.3265 31.7192 173.9555 126 K 3.9440 8.2040 119.6732 55.7443 29.8134 174.3723 127 P 4.3817 0.0000 0.0000 62.8615 31.7941 175.2765 128 R 4.5310 8.1274 117.6108 54.2301 33.0654 175.1761 129 A 4.2941 8.3491 121.7670 53.8176 18.6549 176.9912 130 M 3.3897 9.3469 121.5174 55.4970 29.2743 176.8165 131 G 4.2332 7.4744 106.1388 43.5077 0.0000 174.8959 132 R 4.1571 8.3752 120.5577 55.5060 31.5359 175.4903 133 A 4.7300 8.1098 121.0344 50.6348 21.6897 176.4079 134 S 4.2299 8.4455 114.3111 57.7509 63.4247 172.7508 135 A 4.0854 8.8744 131.7221 53.9328 18.1753 180.0266 136 W 4.6920 9.0772 125.3914 55.5676 31.3694 176.7850 137 N 5.1326 8.7816 113.1019 52.6259 38.4571 175.2078 138 S 4.1057 8.0968 111.5666 58.5264 63.7646 173.0391 139 P 4.4950 0.0000 0.0000 62.6554 32.8499 175.1094 140 Q 4.8974 8.5526 120.9641 54.3162 31.6487 174.6309 141 V 4.8172 9.1776 124.9829 61.2523 34.4791 174.1293 142 D 5.5454 8.7468 125.2237 52.7118 45.0106 175.5215 143 V 4.9336 8.2975 120.5792 60.7479 35.0276 173.0121 144 E 4.8753 8.9362 123.8322 55.0658 32.3593 174.8765 145 L 5.1853 8.8474 122.6572 53.8906 46.3680 174.6134 146 I 4.6513 9.3727 126.9639 59.5421 40.1037 174.4912 147 L 4.7823 8.7560 128.5030 53.9855 43.1796 175.8939 148 E 4.9237 9.2500 124.0705 53.8621 32.7407 174.7706 149 E 4.2590 8.2902 125.7964 55.7371 30.8824 175.6890 150 P 4.3843 0.0000 0.0000 63.1898 31.4208 176.1612 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 G 8.34 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 0.00 0.00 0.00 2 I 8.02 3.91 1.65 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.53 0.72 0.00 0.00 3 S 8.63 4.53 0.00 3.80 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Y 8.68 4.26 0.00 2.93 3.07 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 5 S 8.98 4.24 0.00 4.02 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 6 V 7.55 4.35 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 0.80 0.00 0.00 0.51 0.00 0.00 7 E 8.51 4.55 0.00 1.96 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 8 A 8.28 4.62 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 9 D 8.09 4.77 0.00 2.63 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.37 0.00 2.23 2.22 0.00 3.81 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 11 D 8.27 4.64 0.00 2.87 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 T 8.23 5.17 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 1.39 0.00 0.00 13 T 7.57 4.19 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 1.18 0.00 0.00 14 A 8.82 4.88 1.06 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 15 K 8.12 5.21 0.00 1.46 1.55 0.00 1.26 0.00 0.00 0.61 0.00 0.00 2.34 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.86 1.13 7.81 16 A 8.57 4.62 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 17 M 8.75 5.33 0.00 1.73 1.87 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 18 L 8.50 4.83 0.00 1.43 1.42 0.70 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.30 5.52 0.00 1.62 1.76 0.00 3.43 0.00 0.00 3.81 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.37 0.00 20 E 8.77 3.72 0.00 2.01 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 0.00 2.22 2.29 0.00 21 R 8.23 4.08 0.00 1.69 1.87 0.00 3.27 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 22 Q 8.91 4.94 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.19 0.00 23 M 8.28 4.58 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.66 0.00 24 S 8.65 4.01 0.00 3.64 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 25 F 8.88 4.54 0.00 3.06 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 26 K 7.80 3.63 0.00 1.58 1.50 0.00 1.54 0.00 0.00 1.43 0.00 0.00 2.63 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.90 1.33 7.81 27 H 8.18 4.09 0.00 3.31 3.31 0.00 5.64 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 28 S 7.70 4.06 0.00 4.13 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 0.00 29 K 7.44 3.64 0.00 1.64 1.64 0.00 1.39 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.80 0.77 7.81 30 A 7.29 3.80 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 31 I 7.61 3.42 1.10 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.56 0.01 0.00 0.00 32 A 8.02 3.92 1.40 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 33 R 7.95 3.71 0.00 1.88 2.10 0.00 3.09 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 34 E 8.30 3.94 0.00 1.96 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 2.39 1.90 0.00 35 I 8.10 3.90 1.85 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.48 0.89 0.00 0.00 36 K 7.24 4.14 0.00 1.74 1.70 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.43 1.38 7.81 37 G 8.64 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 K 7.57 4.37 0.00 2.02 1.72 0.00 1.37 0.00 0.00 1.50 0.00 0.00 2.71 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.35 1.27 7.81 39 T 8.96 4.79 4.47 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 1.32 0.00 0.00 40 A 8.81 4.07 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 41 G 8.23 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.14 4.02 0.00 2.18 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 2.41 2.39 0.00 43 A 8.56 4.05 1.42 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 44 V 7.78 3.62 2.26 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 1.06 0.00 0.00 1.02 0.00 0.00 45 D 8.23 4.40 0.00 2.95 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 46 Y 8.48 4.05 0.00 3.16 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 L 9.11 3.89 0.00 1.76 1.78 1.08 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.51 3.97 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 2.34 2.62 0.00 49 A 7.76 3.99 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 50 V 7.17 4.19 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 0.78 0.00 0.00 0.24 0.00 0.00 51 I 7.65 3.80 2.02 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 1.42 0.91 0.91 0.00 0.00 52 E 7.48 4.13 0.00 2.09 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 0.00 2.33 2.33 0.00 53 G 7.84 3.71 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 0.00 0.00 0.00 54 D 7.92 4.57 0.00 2.67 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 55 Q 7.90 4.52 0.00 1.99 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.91 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 56 P 0.00 4.47 0.00 1.72 1.49 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.87 0.00 57 V 8.19 4.23 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 1.30 0.00 0.00 0.97 0.00 0.00 58 P 0.00 4.69 0.00 1.94 2.03 0.00 3.86 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 2.04 2.17 0.00 59 F 9.07 4.79 0.00 2.93 3.17 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 60 K 8.45 3.60 0.00 1.25 0.74 0.00 1.31 0.00 0.00 1.13 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.45 0.99 7.81 61 Q 7.86 4.21 0.00 1.77 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.30 0.00 0.00 0.00 0.00 0.00 1.95 2.21 0.00 62 H 7.52 4.75 0.00 2.96 3.13 0.00 5.69 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 N 8.11 5.21 0.00 3.05 3.47 0.00 0.00 5.87 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 64 S 8.17 4.37 0.00 4.04 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.99 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 66 V 7.65 3.77 2.27 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 0.76 0.00 0.00 1.12 0.00 0.00 67 G 8.49 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 0.00 0.00 0.00 68 H 8.70 4.85 0.00 2.98 3.15 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 9.21 4.66 0.00 1.52 1.63 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.39 1.26 7.81 70 S 8.97 4.15 0.00 3.97 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 71 K 7.90 4.12 0.00 1.78 1.93 0.00 1.87 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.45 7.81 72 V 7.50 3.76 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 0.93 0.00 0.00 0.95 0.00 0.00 73 D 8.85 4.71 0.00 2.81 2.54 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 0.00 0.00 0.00 0.00 74 G 9.34 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 75 W 7.54 5.24 0.00 3.30 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 6.93 4.36 0.00 2.03 2.29 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 77 A 7.01 4.74 1.42 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 78 G 7.39 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 0.00 0.00 0.00 79 R 6.57 4.03 0.00 0.72 1.55 0.00 3.09 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.12 0.00 80 Y 8.05 4.69 0.00 2.80 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 81 P 0.00 4.60 0.00 2.20 1.95 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 82 E 8.43 4.12 0.00 2.21 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 2.38 2.39 0.00 83 K 8.06 3.91 0.00 1.89 1.90 0.00 1.75 0.00 0.00 1.85 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.54 7.81 84 A 8.14 4.20 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.26 4.17 0.00 3.97 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 86 K 8.28 4.04 0.00 2.03 1.90 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.76 7.81 87 A 8.15 4.13 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 88 F 8.24 3.91 0.00 3.27 3.21 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 89 L 8.15 4.09 0.00 1.97 1.77 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 90 D 7.80 4.34 0.00 2.98 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 91 L 7.67 3.92 0.00 1.59 1.70 0.84 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.20 3.97 0.00 1.92 1.74 1.03 1.02 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 93 E 8.75 4.00 0.00 2.06 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 0.00 2.33 2.36 0.00 94 N 8.28 4.28 0.00 2.97 2.98 0.00 0.00 7.06 8.06 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 95 A 8.27 3.98 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 96 V 8.60 3.86 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 1.03 0.00 0.00 0.92 0.00 0.00 97 G 7.79 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 0.00 0.00 0.00 98 N 8.29 4.44 0.00 2.74 2.95 0.00 0.00 7.03 7.91 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 99 A 7.86 4.24 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 0.00 100 D 8.16 4.71 0.00 2.75 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 0.00 101 H 7.94 4.57 0.00 3.12 3.50 0.00 5.89 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.73 4.43 0.00 2.57 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.00 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 103 G 8.23 3.64 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 0.00 104 F 7.35 4.83 0.00 3.31 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 0.00 105 D 8.41 4.96 0.00 2.72 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 0.00 106 G 8.95 3.92 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 0.00 0.00 0.00 107 E 8.40 4.00 0.00 2.06 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 0.00 2.43 2.36 0.00 108 A 7.70 4.47 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 0.00 109 M 8.25 4.38 0.00 1.84 2.05 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.54 0.00 110 T 8.76 4.67 4.33 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 1.20 0.00 0.00 111 I 8.50 4.35 1.87 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 1.13 1.28 0.93 0.00 0.00 112 K 8.74 4.09 0.00 1.79 2.04 0.00 2.01 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.39 7.81 113 H 8.04 5.00 0.00 3.22 3.12 0.00 5.76 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.24 5.33 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 0.56 0.00 0.00 1.16 0.00 0.00 115 A 8.57 4.75 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 0.00 116 A 8.60 5.31 1.42 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 0.00 117 H 9.27 4.85 0.00 3.03 3.12 0.00 5.81 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 7.85 4.01 0.00 0.79 1.14 0.00 1.42 0.00 0.00 1.43 0.00 0.00 2.60 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.15 1.05 7.81 119 V 9.10 3.99 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 0.75 0.00 0.00 0.88 0.00 0.00 120 G 8.21 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 0.00 121 E 8.45 3.35 0.00 2.07 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 2.16 1.85 0.00 *125 R 8.29 4.99 0.00 1.79 2.03 0.00 3.04 0.00 0.00 3.89 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 126 K 8.20 3.94 0.00 1.90 2.07 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.36 7.81 127 P 0.00 4.38 0.00 2.03 2.14 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 128 R 8.13 4.53 0.00 1.76 1.84 0.00 3.20 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 129 A 8.35 4.29 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 0.00 130 M 9.35 3.39 0.00 2.13 2.44 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 131 G 7.47 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 0.00 0.00 0.00 0.00 132 R 8.38 4.16 0.00 1.82 1.94 0.00 3.18 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 133 A 8.11 4.73 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 0.00 134 S 8.45 4.23 0.00 3.87 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 0.00 135 A 8.87 4.09 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 0.00 136 W 9.08 4.69 0.00 3.18 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 0.00 137 N 8.78 5.13 0.00 2.76 2.81 0.00 0.00 6.73 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 0.00 138 S 8.10 4.11 0.00 3.96 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 0.00 139 P 0.00 4.50 0.00 2.29 2.02 0.00 3.52 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 140 Q 8.55 4.90 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 141 V 9.18 4.82 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 1.11 0.00 0.00 1.13 0.00 0.00 142 D 8.75 5.55 0.00 2.78 2.43 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 0.00 143 V 8.30 4.93 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 0.46 0.00 0.00 0.60 0.00 0.00 144 E 8.94 4.88 0.00 2.02 1.77 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 2.36 2.28 0.00 145 L 8.85 5.19 0.00 1.76 1.66 1.04 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 146 I 9.37 4.65 1.95 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 1.31 1.20 0.88 0.00 0.00 147 L 8.76 4.78 0.00 1.48 1.45 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 148 E 9.25 4.92 0.00 1.88 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 2.14 2.36 0.00 149 E 8.29 4.26 0.00 1.97 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 2.49 2.24 0.00 150 P 0.00 4.38 0.00 2.05 1.99 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.20 0.00 * Residues marked with a * may have inaccurate shift predictions.