NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1626 8.2601 123.5865 51.3115 20.6475 176.9131 3 A 4.0395 8.2938 125.1362 51.3909 16.7874 171.8306 4 V 4.8051 8.2663 116.0889 61.3837 35.6887 172.1257 5 T 4.7662 8.9387 125.0892 61.8999 71.0123 173.4976 6 Q 5.4294 8.7912 124.4030 54.1620 31.8306 175.1203 7 S 4.8501 9.0564 117.1460 56.0766 66.7002 172.5157 8 P 5.0201 0.0000 0.0000 61.7993 33.1653 175.6886 9 R 4.2021 8.4528 117.5258 58.9161 31.0689 176.0039 10 N 5.6020 7.9750 114.1047 51.3796 42.6654 174.1163 11 K 4.6669 9.2856 123.4719 54.7612 36.2618 174.7980 12 V 4.9968 8.4725 125.3267 61.2104 34.1691 174.0589 13 A 4.8837 9.2243 128.0439 50.6053 23.5884 174.4613 14 V 4.6446 8.7295 118.4394 61.0092 34.3491 175.4892 15 T 4.2520 8.4658 122.9212 65.2752 68.7562 175.0542 16 G 4.2629 9.5426 114.3770 44.8607 0.0000 173.5774 17 E 4.1093 7.8782 121.7364 55.8737 30.9888 175.4407 18 K 4.8437 8.4503 127.5194 55.1325 33.2480 175.7684 19 V 4.4350 8.5694 127.3909 61.2934 34.4920 174.1571 20 T 4.9134 8.3686 122.9411 61.6888 71.1137 173.1345 21 L 4.7966 8.3959 126.2563 52.9439 44.7288 175.5693 22 S 5.2857 8.9828 119.2171 56.9761 65.8213 172.2277 23 C 5.5153 9.2428 123.1406 54.9149 47.0485 172.3889 24 Q 5.3923 9.1219 125.1525 54.1194 31.1889 174.7165 25 Q 5.1924 8.9926 122.0074 54.3591 31.3843 175.2946 26 T 4.5745 8.5654 108.8538 61.7977 68.8667 175.1014 27 N 4.3490 8.1435 119.0900 52.8587 39.2325 175.3072 28 N 4.3057 8.0642 114.7989 54.4463 37.5216 173.3947 29 H 4.4815 7.4206 113.1102 55.0635 29.3105 175.7029 30 N 4.4236 8.9071 120.9652 55.8234 38.9090 175.0478 31 N 5.5736 7.8864 115.0562 51.3426 40.8386 174.4081 32 M 5.1387 7.5553 120.9447 54.0600 37.3397 173.5119 33 Y 5.1080 9.0156 117.2432 56.4589 43.0484 174.1547 34 W 5.2444 9.5213 123.3858 55.1652 32.2909 174.2827 35 Y 5.4788 9.8325 121.8791 56.3070 41.7305 174.3077 36 R 4.6966 8.8951 123.0495 54.5725 32.4203 175.1087 37 Q 4.6225 8.9234 128.2534 56.3832 29.0150 174.7052 38 D 4.7745 8.9711 127.6577 52.8654 42.3083 176.1657 39 T 3.8259 8.3394 119.9874 64.8073 68.2814 174.5352 40 G 3.8994 9.0980 114.4764 46.0327 0.0000 172.8649 41 H 4.7929 8.4696 113.9137 53.8887 31.4716 175.7307 42 G 3.6468 7.8670 108.7509 46.1200 0.0000 172.6090 43 L 4.6345 8.3554 122.0628 54.4998 42.3210 176.1188 44 R 4.8189 9.1544 123.5428 54.3120 33.0082 175.1351 45 L 4.4084 8.5738 125.2983 55.0393 43.0563 176.3348 46 I 4.1674 9.0557 128.7060 63.3754 37.7309 175.2378 47 H 5.6529 7.9658 117.2578 54.6305 33.8648 171.1195 48 Y 5.4092 8.9064 118.2882 55.6057 42.4184 173.6570 49 S 4.4736 8.0108 112.8747 56.7442 65.3762 173.9160 50 Y 4.7199 9.2406 124.2432 57.7592 38.3334 175.5535 51 G 3.8985 7.0845 108.1848 44.8065 0.0000 171.7154 52 V 3.7761 7.8166 119.4236 64.6275 31.5443 176.2930 53 G 3.9583 9.1983 115.2695 45.0513 0.0000 172.1884 54 N 5.1532 7.7859 117.1377 51.7016 41.5927 173.7202 55 T 4.7716 8.3823 114.4270 60.0401 72.2448 172.7740 56 E 4.6280 8.9147 122.8532 53.9997 33.8420 175.3849 57 K 4.3472 8.7493 122.0856 56.3944 32.5028 177.4325 58 G 4.2609 8.7982 116.6227 47.0730 0.0000 175.0909 59 D 4.8034 9.3783 122.6309 54.9733 41.5793 177.1046 60 I 4.8322 7.1975 110.7791 59.2227 36.2044 174.8834 61 P 4.4590 0.0000 0.0000 64.8386 32.6616 178.3739 62 D 4.4202 7.5528 122.3386 55.7751 41.3141 176.6175 63 G 3.6231 8.7352 111.8608 45.4153 0.0000 172.4171 *65 Y 5.4116 7.2131 115.2836 58.2837 39.4764 173.6565 66 E 4.9106 9.2911 119.9545 55.0551 34.2861 174.1873 67 A 4.8912 8.0720 120.1592 51.3309 22.5548 175.7394 68 S 4.5041 9.0309 113.4184 56.9522 66.4218 173.1238 69 R 5.0106 8.9828 127.6105 53.3186 29.3803 173.8790 70 P 4.4418 0.0000 0.0000 64.1128 32.6362 177.0446 71 S 4.6741 7.6603 112.0934 56.1628 66.1926 174.1894 72 Q 3.9306 8.9103 122.0434 59.7044 28.6835 178.0411 73 E 4.2305 8.1566 115.9488 57.8679 31.1362 176.2023 74 Q 5.1086 8.1737 121.2583 54.0689 32.1701 174.0457 75 F 5.3443 9.4899 128.6053 56.8839 42.4571 173.3782 76 S 5.2697 9.3186 123.1118 56.7493 65.6184 172.8907 77 L 4.3509 8.0360 125.9354 53.1108 44.0307 174.8904 78 I 4.6837 8.7912 127.0858 59.4538 40.2874 174.4973 79 L 4.5639 8.8005 127.9045 53.3667 42.3354 177.5808 80 V 3.4275 8.4010 125.0505 65.5585 32.9596 175.4170 81 S 4.7060 7.7943 117.7117 55.6644 64.0329 172.0166 82 A 5.0125 9.5015 128.8333 51.6555 19.5291 176.2359 83 T 4.6771 8.3499 110.0187 59.1539 72.4654 172.9882 84 P 4.4500 0.0000 0.0000 65.8475 31.4865 178.7963 85 S 4.1125 8.1531 111.2853 60.7515 62.9577 174.8414 86 Q 4.5572 8.3365 119.2793 55.8678 29.2979 175.4565 87 S 4.7066 8.2348 115.8989 58.7541 63.4952 173.7591 88 S 4.5581 8.4639 118.3157 58.4128 66.9801 175.1727 89 V 4.7852 7.5497 121.4490 61.5598 33.4845 173.8874 90 Y 5.3589 8.7792 124.1144 56.3245 41.7120 174.5566 91 F 5.5222 10.0522 121.7519 55.9281 43.1977 171.7152 92 C 5.1761 9.8164 117.6052 53.7051 44.7548 172.4727 93 A 5.2138 8.8195 120.6577 50.5095 22.8433 175.1503 94 S 5.2665 8.5114 113.6222 57.0120 66.5294 173.0172 95 G 4.5911 8.5913 106.5062 46.1856 0.0000 173.2929 96 V 4.6365 8.2196 118.6969 60.9418 35.4474 174.8955 97 G 3.7000 8.3972 111.4780 47.3849 0.0000 174.4681 98 G 3.9655 8.8199 113.3268 45.1382 0.0000 172.5842 99 T 4.3109 7.7667 117.7303 62.0671 69.6780 173.7036 100 L 5.1655 8.0195 124.5475 53.0546 45.4106 175.3423 101 Y 4.5294 9.0912 120.9920 56.2426 40.5106 174.9741 *108 F 4.8637 8.7053 122.4924 57.2074 40.4843 175.2511 109 G 4.1761 9.3705 109.5936 45.1298 0.0000 173.5335 110 A 4.4940 8.7496 121.1063 52.4249 18.9214 178.7746 111 G 3.2331 8.8102 101.0867 45.2945 0.0000 173.3912 112 T 4.7347 8.1287 115.5669 61.5609 72.2926 173.5791 113 R 4.7134 8.8647 127.1599 55.6364 31.5190 175.4546 114 L 5.1550 9.0430 126.6147 53.1861 45.1647 174.8688 115 S 4.9555 8.9231 120.4801 56.4740 65.4277 172.4541 116 V 4.7249 8.4510 127.7174 61.1400 32.7013 175.4109 117 L 4.3176 9.1251 128.0364 54.9876 41.2143 177.0268 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 A 8.26 4.16 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 3 A 8.29 4.04 1.52 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 4 V 8.27 4.81 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 1.04 0.00 0.00 0.99 0.00 0.00 5 T 8.94 4.77 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 6 Q 8.79 5.43 0.00 2.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 7 S 9.06 4.85 0.00 3.87 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 8 P 0.00 5.02 0.00 2.35 2.13 0.00 3.74 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 2.03 1.93 0.00 9 R 8.45 4.20 0.00 1.91 1.97 0.00 3.30 0.00 0.00 3.46 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 10 N 7.98 5.60 0.00 2.59 2.65 0.00 0.00 6.57 7.61 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 11 K 9.29 4.67 0.00 1.79 1.56 0.00 1.43 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.28 1.39 7.81 12 V 8.47 5.00 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 0.86 0.00 0.00 0.94 0.00 0.00 13 A 9.22 4.88 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 14 V 8.73 4.64 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 0.95 0.00 0.00 0.92 0.00 0.00 15 T 8.47 4.25 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 1.23 0.00 0.00 16 G 9.54 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 17 E 7.88 4.11 0.00 2.09 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 2.26 2.22 0.00 18 K 8.45 4.84 0.00 1.88 1.65 0.00 1.55 0.00 0.00 2.25 0.00 0.00 2.80 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.33 1.31 7.81 19 V 8.57 4.43 1.95 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 0.66 0.00 0.00 0.86 0.00 0.00 20 T 8.37 4.91 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 1.13 0.00 0.00 21 L 8.40 4.80 0.00 0.68 1.26 0.05 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.98 5.29 0.00 3.83 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 23 C 9.24 5.52 0.00 2.92 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 24 Q 9.12 5.39 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.44 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 25 Q 8.99 5.19 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.18 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 26 T 8.57 4.57 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 1.19 0.00 0.00 27 N 8.14 4.35 0.00 2.31 2.18 0.00 0.00 6.65 6.58 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 28 N 8.06 4.31 0.00 2.76 2.77 0.00 0.00 7.07 7.89 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 29 H 7.42 4.48 0.00 3.33 3.35 0.00 5.74 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 30 N 8.91 4.42 0.00 2.73 3.11 0.00 0.00 6.93 8.00 0.00 0.00 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 N 7.89 5.57 0.00 3.02 2.63 0.00 0.00 7.36 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 32 M 7.56 5.14 0.00 1.78 1.31 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 33 Y 9.02 5.11 0.00 2.92 2.37 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 34 W 9.52 5.24 0.00 3.14 2.96 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 35 Y 9.83 5.48 0.00 3.35 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 36 R 8.90 4.70 0.00 1.81 1.75 0.00 3.03 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.59 0.00 37 Q 8.92 4.62 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 38 D 8.97 4.77 0.00 2.73 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 39 T 8.34 3.83 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 1.20 0.00 0.00 40 G 9.10 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 0.00 0.00 0.00 41 H 8.47 4.79 0.00 3.06 3.27 0.00 5.81 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.87 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 43 L 8.36 4.63 0.00 1.36 1.41 0.71 0.07 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 44 R 9.15 4.82 0.00 1.74 1.89 0.00 3.32 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.94 0.00 45 L 8.57 4.41 0.00 1.84 1.60 0.69 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 46 I 9.06 4.17 1.87 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.71 0.39 0.00 0.00 47 H 7.97 5.65 0.00 3.15 3.31 0.00 5.56 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.91 5.41 0.00 2.56 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 49 S 8.01 4.47 0.00 2.86 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 50 Y 9.24 4.72 0.00 3.06 2.86 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 51 G 7.08 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 0.00 0.00 0.00 52 V 7.82 3.78 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 0.84 0.00 0.00 0.91 0.00 0.00 53 G 9.20 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 54 N 7.79 5.15 0.00 2.68 2.74 0.00 0.00 6.84 7.85 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 55 T 8.38 4.77 4.29 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 1.39 0.00 0.00 56 E 8.91 4.63 0.00 1.16 1.46 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 1.67 1.94 0.00 57 K 8.75 4.35 0.00 1.70 1.80 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.50 7.81 58 G 8.80 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 59 D 9.38 4.80 0.00 2.59 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 60 I 7.20 4.83 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 1.45 1.07 0.94 0.00 0.00 61 P 0.00 4.46 0.00 2.14 2.24 0.00 3.82 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 62 D 7.55 4.42 0.00 2.84 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.74 3.62 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 0.00 0.00 0.00 *65 Y 7.21 5.41 0.00 3.07 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 66 E 9.29 4.91 0.00 1.77 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 2.19 2.20 0.00 67 A 8.07 4.89 1.07 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 0.00 0.00 68 S 9.03 4.50 0.00 3.85 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.98 5.01 0.00 1.95 1.83 0.00 3.66 0.00 0.00 3.02 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.47 0.00 70 P 0.00 4.44 0.00 2.24 2.19 0.00 4.13 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 71 S 7.66 4.67 0.00 4.13 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 72 Q 8.91 3.93 0.00 1.99 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.16 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 73 E 8.16 4.23 0.00 2.02 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 2.39 2.34 0.00 74 Q 8.17 5.11 0.00 2.22 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 75 F 9.49 5.34 0.00 3.04 2.86 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 76 S 9.32 5.27 0.00 3.75 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 77 L 8.04 4.35 0.00 0.27 0.13 0.61 0.39 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 78 I 8.79 4.68 1.79 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.00 0.83 0.00 0.00 79 L 8.80 4.56 0.00 1.44 1.45 0.69 0.61 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 80 V 8.40 3.43 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 0.89 0.00 0.00 0.87 0.00 0.00 81 S 7.79 4.71 0.00 3.83 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.50 5.01 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.35 4.68 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 1.18 0.00 0.00 84 P 0.00 4.45 0.00 2.20 2.17 0.00 3.61 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 85 S 8.15 4.11 0.00 3.99 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 0.00 86 Q 8.34 4.56 0.00 2.24 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.02 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 87 S 8.23 4.71 0.00 3.78 3.97 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 88 S 8.46 4.56 0.00 3.83 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 89 V 7.55 4.79 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 0.71 0.00 0.00 0.96 0.00 0.00 90 Y 8.78 5.36 0.00 3.08 3.06 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 91 F 10.05 5.52 0.00 3.18 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 92 C 9.82 5.18 0.00 1.69 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 93 A 8.82 5.21 0.63 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 0.00 0.00 94 S 8.51 5.27 0.00 4.05 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 95 G 8.59 4.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.22 4.64 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 0.74 0.00 0.00 0.96 0.00 0.00 97 G 8.40 3.70 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 0.00 0.00 0.00 98 G 8.82 3.97 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 0.00 99 T 7.77 4.31 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 0.65 0.00 0.00 100 L 8.02 5.17 0.00 1.41 1.04 0.81 0.51 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 0.00 101 Y 9.09 4.53 0.00 2.72 2.86 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 *108 F 8.71 4.86 0.00 2.96 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 0.00 109 G 9.37 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 0.00 0.00 0.00 0.00 110 A 8.75 4.49 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 0.00 111 G 8.81 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 0.00 0.00 0.00 112 T 8.13 4.73 4.38 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 1.33 0.00 0.00 113 R 8.86 4.71 0.00 1.81 1.89 0.00 3.08 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 114 L 9.04 5.16 0.00 1.79 1.74 0.88 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.92 4.96 0.00 3.94 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.45 4.72 2.19 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 0.81 0.00 0.00 0.97 0.00 0.00 117 L 9.13 4.32 0.00 1.53 1.56 0.92 0.98 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 * Residues marked with a * may have inaccurate shift predictions.