NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.7812 8.0932 114.8124 57.8358 64.6407 173.7557 2 L 4.0336 8.5647 119.0503 57.1328 40.8819 178.0646 3 L 3.9652 8.4800 121.7087 58.2562 42.5439 178.6497 4 E 4.0469 7.9821 117.9312 59.3933 29.4097 178.8224 5 F 4.6809 8.3328 120.4959 61.5803 39.4450 177.4334 6 G 3.4495 8.3520 105.2786 47.4506 0.0000 175.6569 7 K 4.0352 7.8293 121.9435 59.5967 32.1740 178.8605 8 M 4.1182 8.2756 118.9642 58.5075 31.8204 178.7382 9 I 3.6385 7.8815 120.0549 64.2082 37.2507 178.2593 10 L 4.5667 7.8477 122.3003 57.8294 41.7621 178.5949 11 E 3.9928 8.1332 117.2703 59.7610 29.5423 178.9500 12 E 4.2687 8.4037 117.1836 58.0928 29.8612 178.0362 13 T 4.5279 8.1780 107.8416 60.5009 70.7722 175.5688 14 G 3.7679 8.2464 109.8736 45.8977 0.0000 173.0567 *16 K 4.6584 7.4314 117.5293 55.8932 33.0667 174.9656 17 L 4.4075 8.1651 121.7590 54.1340 42.5748 177.7478 18 A 4.0491 8.8659 126.8695 54.6110 18.4526 177.0943 19 I 4.6773 7.5811 115.5017 59.1727 38.9847 173.6480 20 P 5.1549 0.0000 0.0000 62.0163 31.9389 176.6602 21 S 4.1805 7.7604 116.1201 61.6876 62.6854 174.9784 22 Y 4.6622 8.3370 114.9672 57.6832 38.4450 176.4120 23 S 4.6607 8.1041 114.7827 58.7928 64.1694 175.2412 24 S 4.6264 7.7795 115.1411 58.2895 64.0267 172.2088 25 Y 4.5408 8.2071 123.3072 58.3732 39.6528 175.8092 26 G 3.4149 7.8425 117.0698 46.6244 0.0000 172.5183 27 C 4.4393 8.9264 114.9194 58.3545 40.3040 173.8265 28 Y 4.4020 8.6684 115.4052 57.9893 39.4078 174.9279 29 C 5.0778 8.1853 119.6874 53.2807 39.5951 173.8088 30 G 4.2059 7.2010 114.3808 46.4399 0.0000 171.5658 31 W 4.5302 8.9441 120.4835 57.8366 30.1043 176.9283 32 G 4.0075 8.1720 106.5092 46.3647 0.0000 173.5390 33 G 4.2551 7.8663 106.5619 42.8262 0.0000 171.9976 34 K 4.3569 6.6529 114.6935 57.5586 35.1276 175.4812 35 G 4.1464 9.7794 107.6333 44.8824 0.0000 172.9465 36 T 4.1986 8.0091 115.2764 61.7649 69.0517 173.5612 37 P 4.5897 0.0000 0.0000 62.9964 31.9480 176.7251 38 K 3.8381 9.5482 123.2244 59.1857 32.3576 176.4198 39 D 4.4942 7.2510 115.4249 51.5508 41.7116 174.8230 40 A 4.0060 8.8256 119.3915 56.1612 18.1450 180.0476 41 T 3.9741 8.0006 113.7345 66.9251 68.5983 176.2551 42 D 4.5179 8.7389 120.0211 57.4894 41.1423 178.5329 43 R 3.9870 8.1833 118.6296 59.0902 29.9891 178.2892 44 C 4.1988 8.1120 116.5630 60.3275 40.1039 175.5530 45 C 4.3347 8.2094 118.1416 59.6876 40.5284 175.8159 46 F 3.7320 8.1373 122.4098 61.3474 38.9497 177.3484 47 V 3.4165 8.0842 118.0088 66.1801 31.2504 177.4325 48 H 3.8487 8.0464 117.9724 59.1286 29.5907 177.0264 49 D 4.1952 8.1390 120.9744 57.5416 40.4196 178.1015 50 C 4.1131 7.5320 115.8479 59.8590 41.3345 175.1951 51 C 4.3028 8.0652 120.0027 60.0619 38.0070 175.2720 52 Y 4.1197 8.0057 118.3896 61.0018 37.2042 178.7321 53 G 3.8214 8.3748 105.5559 46.3974 0.0000 174.3712 54 N 4.9526 7.8305 117.5898 52.4639 40.2768 175.2403 55 L 4.8243 7.4429 117.6681 53.0889 42.0131 175.3697 56 P 4.1968 0.0000 0.0000 65.6415 32.0036 178.5819 *59 D 4.7305 7.8501 114.3720 53.3151 41.0447 175.3011 *61 C 5.0893 7.4997 116.5243 57.5637 41.8148 172.5682 *67 N 4.9401 7.9699 114.0263 52.5578 37.9618 173.0106 68 P 3.7638 0.0000 0.0000 65.7280 31.8466 179.0871 69 K 4.2572 7.9005 116.3674 58.3093 32.3252 177.9860 70 S 4.5626 7.8092 111.7081 58.8035 64.9399 173.9886 71 D 4.3713 8.2202 121.2859 54.0041 41.0195 175.7468 72 R 4.3081 8.4866 126.5893 55.9859 30.8534 175.2463 73 Y 4.9826 7.7120 118.8697 55.1089 41.5150 173.7269 74 K 4.9836 8.3580 119.9359 55.2285 35.9862 173.7609 75 Y 5.1913 8.1389 120.5921 56.7909 40.7720 172.6649 76 K 4.4694 9.3297 120.4323 55.3707 36.4599 173.9999 77 R 5.0345 8.4696 123.8556 54.8017 31.3189 175.8287 78 V 4.1648 8.3774 125.0801 62.1408 32.9524 174.7073 79 N 4.1849 9.3401 124.2127 54.1790 35.3009 175.9986 80 G 3.9262 8.6604 106.3525 45.0190 0.0000 173.7232 81 A 4.7394 7.3719 122.4622 49.7752 20.9606 176.1396 82 I 4.2119 8.3620 123.3222 61.9364 38.1123 175.8981 83 V 4.3526 9.2471 125.9022 61.0705 34.3599 173.8823 84 C 4.8016 8.8797 126.4601 57.1104 40.6464 174.7392 85 E 4.1796 8.4894 124.4955 55.9503 30.8495 175.9366 86 K 4.6892 8.0720 121.5540 54.4501 33.8303 174.9763 *88 G 4.5642 8.2384 118.3652 45.3232 0.0000 171.7970 89 T 4.1972 8.1735 114.6403 60.8611 71.0618 175.5253 90 S 4.0386 8.5609 115.0893 62.0164 62.1502 176.8120 91 C 4.2283 8.1407 118.3243 60.1426 40.2663 175.8434 92 E 3.9243 7.9600 119.5670 59.5759 28.7097 179.2546 93 N 4.2943 8.1942 116.5074 56.1710 38.6094 177.8379 94 R 3.9395 7.9591 119.6353 59.0782 30.1681 179.1390 95 I 3.5871 7.9168 120.0867 64.3704 36.9991 177.5759 96 C 3.1422 7.5478 119.2256 59.3048 44.4612 175.5575 97 E 3.7451 7.8816 120.0941 59.4626 28.9390 178.5702 98 C 4.1378 8.0607 116.5060 60.1463 39.3128 176.0218 99 D 3.5829 7.9048 120.2848 56.8637 40.3905 178.6092 100 K 3.7477 8.0847 120.1330 59.5488 32.1763 178.5563 101 A 3.8808 7.9635 120.6652 55.0213 18.1448 179.5715 102 A 3.4037 7.5936 118.6552 54.9696 18.3310 179.5103 103 A 3.9550 8.1499 119.6859 55.6861 18.3967 180.0423 104 I 3.6970 7.7466 118.0820 64.3768 36.9722 177.8654 105 C 4.3429 7.8533 119.5172 59.6491 43.2029 175.5966 106 F 4.4226 7.8162 118.6898 60.6931 38.8277 177.3632 107 R 4.0951 7.9219 118.1380 59.5996 29.7209 178.6047 108 Q 4.1682 8.2475 116.7357 57.9707 28.8360 177.0320 109 N 5.0569 7.7302 116.1864 52.8716 39.3743 176.5329 110 L 4.1252 7.9803 121.7331 57.7391 41.9243 178.9176 111 N 4.2864 8.4198 116.5466 56.2772 38.7104 175.1519 112 T 4.6136 7.8123 105.0137 61.1259 69.1470 173.2227 113 Y 4.1723 8.1038 124.0488 58.2143 39.3885 175.2887 114 S 4.8569 8.8669 123.5208 56.3680 65.3627 175.5323 115 K 4.0886 8.7443 124.8047 59.1956 32.0417 179.0880 116 K 3.8850 7.7414 116.5121 58.9801 32.5535 176.8702 117 Y 4.5633 7.2070 116.5777 58.0834 38.2388 175.4564 118 M 4.3598 7.6328 120.3729 55.9624 32.6209 175.6283 119 L 3.6917 8.5282 119.5043 55.7032 40.0728 174.6156 120 Y 3.9714 7.8998 119.4083 56.6894 39.3617 173.6379 121 P 4.3371 0.0000 0.0000 62.2634 31.9850 177.1448 122 D 4.3104 8.8140 123.4696 56.0340 39.5661 178.1209 *124 F 4.7188 7.8717 112.9339 56.5215 39.5382 175.5256 125 L 3.8167 6.8410 119.1601 55.2315 41.4283 175.7607 126 C 4.9660 8.1277 117.5104 55.0145 36.2311 173.5606 127 K 4.6969 8.5272 123.3430 55.5424 35.8143 176.3213 128 G 4.1424 8.9034 109.4756 45.5313 0.0000 172.2556 129 E 4.6614 8.5739 123.8063 54.7934 30.5684 175.4468 130 L 4.5871 8.4160 128.0798 52.6728 42.4492 175.5722 131 K 4.0179 8.3380 125.5854 56.7722 32.8065 178.3488 *133 C 4.8951 8.5662 118.2941 57.4926 41.5364 173.7607 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 S 8.09 4.78 0.00 4.28 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 0.00 2 L 8.56 4.03 0.00 1.92 1.86 1.08 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.48 3.97 0.00 1.77 1.65 0.93 0.83 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 4 E 7.98 4.05 0.00 1.64 1.80 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 1.47 2.22 0.00 5 F 8.33 4.68 0.00 3.39 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 6 G 8.35 3.45 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 0.00 7 K 7.83 4.04 0.00 1.90 2.22 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.76 1.56 7.81 8 M 8.28 4.12 0.00 2.16 2.36 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 9 I 7.88 3.64 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 1.19 0.42 0.65 0.00 0.00 10 L 7.85 4.57 0.00 1.77 1.84 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.13 3.99 0.00 2.32 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 0.00 2.42 2.43 0.00 12 E 8.40 4.27 0.00 1.99 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 2.50 2.45 0.00 13 T 8.18 4.53 4.30 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 1.26 0.00 0.00 14 G 8.25 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 0.00 0.00 0.00 *16 K 7.43 4.66 0.00 1.91 1.68 0.00 1.63 0.00 0.00 1.16 0.00 0.00 2.56 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.47 7.81 17 L 8.17 4.41 0.00 1.66 1.75 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.87 4.05 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 19 I 7.58 4.68 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.69 0.95 0.00 0.00 20 P 0.00 5.15 0.00 2.19 2.17 0.00 3.37 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 21 S 7.76 4.18 0.00 3.89 3.40 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 22 Y 8.34 4.66 0.00 2.71 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.10 4.66 0.00 4.03 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 7.78 4.63 0.00 4.04 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 25 Y 8.21 4.54 0.00 2.95 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 26 G 7.84 3.41 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 0.00 27 C 8.93 4.44 0.00 2.90 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 28 Y 8.67 4.40 0.00 3.46 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 29 C 8.19 5.08 0.00 3.38 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.20 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 0.00 0.00 0.00 0.00 31 W 8.94 4.53 0.00 3.32 3.33 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 32 G 8.17 4.01 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 0.00 0.00 0.00 33 G 7.87 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 6.65 4.36 0.00 2.04 1.81 0.00 1.22 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.21 1.33 7.81 35 G 9.78 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.01 4.20 4.22 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 1.14 0.00 0.00 37 P 0.00 4.59 0.00 1.88 1.94 0.00 3.42 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.59 0.00 38 K 9.55 3.84 0.00 0.79 0.74 0.00 1.58 0.00 0.00 1.33 0.00 0.00 2.85 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.98 0.21 7.81 39 D 7.25 4.49 0.00 2.92 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 40 A 8.83 4.01 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 41 T 8.00 3.97 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 0.92 0.00 0.00 42 D 8.74 4.52 0.00 2.99 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.18 3.99 0.00 2.07 1.94 0.00 3.10 0.00 0.00 3.06 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.78 0.00 44 C 8.11 4.20 0.00 3.35 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 45 C 8.21 4.33 0.00 3.32 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.14 3.73 0.00 2.56 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.08 3.42 2.14 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 0.84 0.00 0.00 1.04 0.00 0.00 48 H 8.05 3.85 0.00 3.13 3.26 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 49 D 8.14 4.20 0.00 2.63 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 C 7.53 4.11 0.00 2.85 2.95 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 51 C 8.07 4.30 0.00 3.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 8.01 4.12 0.00 3.00 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 53 G 8.37 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 54 N 7.83 4.95 0.00 2.85 2.78 0.00 0.00 6.75 7.59 0.00 0.00 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 L 7.44 4.82 0.00 1.64 1.50 0.79 0.77 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 56 P 0.00 4.20 0.00 2.16 2.10 0.00 3.60 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 2.10 2.07 0.00 *59 D 7.85 4.73 0.00 2.83 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 *61 C 7.50 5.09 0.00 3.00 3.08 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 *67 N 7.97 4.94 0.00 2.75 2.80 0.00 0.00 7.58 8.03 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 68 P 0.00 3.76 0.00 1.45 0.49 0.00 3.43 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 69 K 7.90 4.26 0.00 1.81 1.99 0.00 1.79 0.00 0.00 1.82 0.00 0.00 3.40 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.58 1.70 7.81 70 S 7.81 4.56 0.00 3.96 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 71 D 8.22 4.37 0.00 2.72 2.66 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 0.00 0.00 0.00 0.00 72 R 8.49 4.31 0.00 1.84 1.80 0.00 3.33 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 73 Y 7.71 4.98 0.00 3.00 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 74 K 8.36 4.98 0.00 1.86 1.72 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.36 7.81 75 Y 8.14 5.19 0.00 3.19 3.08 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 76 K 9.33 4.47 0.00 1.78 1.64 0.00 1.40 0.00 0.00 1.48 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.43 7.81 77 R 8.47 5.03 0.00 1.94 1.84 0.00 3.27 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 78 V 8.38 4.16 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 0.96 0.00 0.00 0.95 0.00 0.00 79 N 9.34 4.18 0.00 2.93 2.96 0.00 0.00 7.34 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 80 G 8.66 3.93 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 0.00 0.00 0.00 81 A 7.37 4.74 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 82 I 8.36 4.21 1.85 0.00 0.00 0.79 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 0.69 0.80 0.00 0.00 83 V 9.25 4.35 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 1.09 0.00 0.00 1.03 0.00 0.00 84 C 8.88 4.80 0.00 2.96 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 85 E 8.49 4.18 0.00 1.94 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 2.59 2.46 0.00 86 K 8.07 4.69 0.00 1.79 1.67 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.41 7.81 *88 G 8.24 4.56 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 89 T 8.17 4.20 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 1.27 0.00 0.00 90 S 8.56 4.04 0.00 3.89 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 91 C 8.14 4.23 0.00 2.98 3.08 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 92 E 7.96 3.92 0.00 2.31 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 2.60 2.58 0.00 93 N 8.19 4.29 0.00 2.90 2.79 0.00 0.00 7.05 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 R 7.96 3.94 0.00 1.79 1.89 0.00 3.07 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 95 I 7.92 3.59 1.78 0.00 0.00 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 1.11 0.81 0.88 0.00 0.00 96 C 7.55 3.14 0.00 1.87 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 97 E 7.88 3.75 0.00 2.08 1.87 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 2.50 2.41 0.00 98 C 8.06 4.14 0.00 3.19 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 99 D 7.90 3.58 0.00 2.74 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 0.00 100 K 8.08 3.75 0.00 1.71 1.85 0.00 1.57 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.38 7.81 101 A 7.96 3.88 1.25 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 0.00 0.00 102 A 7.59 3.40 0.98 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 0.00 103 A 8.15 3.96 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 0.00 104 I 7.75 3.70 1.86 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 1.38 0.58 0.87 0.00 0.00 105 C 7.85 4.34 0.00 3.00 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 0.00 106 F 7.82 4.42 0.00 3.01 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 0.00 107 R 7.92 4.10 0.00 2.02 2.08 0.00 3.11 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 108 Q 8.25 4.17 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.03 0.00 0.00 0.00 0.00 0.00 2.40 2.66 0.00 109 N 7.73 5.06 0.00 2.77 2.86 0.00 0.00 6.86 6.88 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 0.00 110 L 7.98 4.13 0.00 1.87 1.75 0.97 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.42 4.29 0.00 2.72 2.93 0.00 0.00 6.78 7.70 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 0.00 112 T 7.81 4.61 4.34 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 1.27 0.00 0.00 113 Y 8.10 4.17 0.00 3.02 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 0.00 114 S 8.87 4.86 0.00 3.80 3.47 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 0.00 115 K 8.74 4.09 0.00 1.81 1.88 0.00 1.70 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.67 1.55 7.81 116 K 7.74 3.89 0.00 1.60 1.73 0.00 1.19 0.00 0.00 1.43 0.00 0.00 2.13 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.85 0.23 7.81 117 Y 7.21 4.56 0.00 1.96 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 0.00 0.00 0.00 118 M 7.63 4.36 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.64 0.00 119 L 8.53 3.69 0.00 1.78 1.75 0.94 0.85 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 0.00 120 Y 7.90 3.97 0.00 3.09 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 0.00 121 P 0.00 4.34 0.00 1.53 2.04 0.00 2.57 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.96 0.00 122 D 8.81 4.31 0.00 2.87 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 *124 F 7.87 4.72 0.00 3.18 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 0.00 125 L 6.84 3.82 0.00 1.26 1.50 0.21 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.13 4.97 0.00 2.97 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 0.00 127 K 8.53 4.70 0.00 1.74 1.66 0.00 1.69 0.00 0.00 1.86 0.00 0.00 3.19 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.40 7.81 128 G 8.90 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 0.00 129 E 8.57 4.66 0.00 1.98 1.92 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 2.32 2.43 0.00 130 L 8.42 4.59 0.00 1.62 1.72 0.81 -0.14 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 0.00 131 K 8.34 4.02 0.00 1.91 1.79 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.58 1.53 7.81 *133 C 8.57 4.90 0.00 2.95 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 * Residues marked with a * may have inaccurate shift predictions.