NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.3435 8.2493 123.5906 51.6636 20.5400 176.7977 10 H 4.3746 8.1695 112.3357 55.3268 29.5354 173.2579 11 K 4.6750 8.8256 119.0501 55.0096 35.2298 176.3809 12 K 4.9143 9.3443 125.1904 54.8540 34.5001 174.6284 13 I 4.8551 8.8469 128.9220 59.4960 39.9627 174.3396 14 F 5.1436 9.2267 129.8171 56.5271 41.3162 173.7619 15 L 4.6286 8.6932 129.6433 53.4241 43.7811 175.2473 16 V 4.2694 8.1606 127.8007 61.4042 32.0155 174.0610 17 E 4.7773 8.8080 128.0074 54.8172 33.0116 174.9471 18 D 4.7201 8.7296 123.6395 53.4013 41.1136 176.9396 19 N 4.6164 9.1706 122.3132 52.7061 37.8895 175.2708 20 K 3.8517 8.5046 131.9510 59.6385 31.8969 176.8704 21 A 4.1878 7.7815 119.4617 55.4548 18.2733 179.5800 22 D 4.3322 8.5023 117.7761 57.3169 40.8101 178.9828 23 I 3.7025 7.8438 122.4107 65.0384 37.2920 179.0125 24 R 3.9402 7.9770 121.2849 61.2995 29.2037 180.2971 25 L 4.2309 7.8251 121.1855 58.0633 42.0299 178.9514 26 I 3.6378 8.0045 119.9425 64.6150 36.8699 178.1102 27 Q 4.0701 8.0565 119.7438 59.9862 28.9057 179.7301 28 E 4.2170 8.2211 118.3586 61.0841 29.6249 180.7037 29 A 3.7908 8.1719 120.4405 53.6524 18.3166 178.6023 30 L 4.5382 7.1522 115.3686 54.5824 42.2393 177.1868 31 A 4.0604 8.0401 125.8877 54.5825 18.8269 178.4985 32 N 4.6327 7.9361 112.7642 51.8288 37.1048 179.4958 33 S 4.3461 8.3777 115.7083 56.8444 64.9119 174.6046 34 T 3.8405 8.9096 123.6779 64.8143 66.9044 173.7268 35 V 4.0753 7.3596 122.4774 59.9497 30.8620 172.2562 36 P 4.0564 0.0000 0.0000 62.7308 31.5103 176.2871 37 H 4.7372 8.5754 120.1170 55.7127 30.1545 174.8592 38 E 4.5239 9.7295 122.7944 54.8593 30.9233 174.4563 39 V 4.7011 8.3009 127.3682 61.4073 33.0599 175.0115 40 V 4.5333 8.8476 127.7374 61.3760 34.4812 174.2505 41 T 4.9056 8.3912 122.6989 61.8137 72.0723 173.6198 42 V 4.4560 8.3339 119.5062 60.4286 35.9207 177.1492 43 R 4.9502 8.9072 119.9971 55.8267 30.2419 176.3849 44 D 4.8755 7.5508 116.3987 51.9004 43.4110 176.0839 45 G 3.8418 8.6678 109.0046 47.6598 0.0000 175.9436 46 M 4.0868 8.0377 120.1954 58.3881 32.1530 178.3073 47 E 4.1264 8.9518 119.5442 59.0219 29.6660 178.7635 48 A 4.2495 8.0778 121.0083 55.6423 18.4626 179.6128 49 M 4.0535 8.2168 117.0870 58.3324 31.9127 178.8691 50 A 4.3304 8.1399 122.4628 54.7147 18.5654 179.1208 51 Y 3.3752 8.1082 117.9452 60.7700 38.6770 178.1274 52 L 3.8883 7.9259 118.6172 57.5378 41.7632 178.8306 53 R 4.2472 8.1286 115.4265 55.0078 30.9340 176.3034 54 Q 3.4630 7.7686 117.6466 56.8165 27.0121 173.4554 55 E 4.6696 8.5863 116.8359 56.5508 32.2116 177.1770 56 G 3.8270 8.3758 111.7257 46.3066 0.0000 177.1899 57 E 3.8028 8.8737 123.5993 58.2317 29.2570 176.7911 58 Y 4.6322 7.6563 116.6770 57.5605 38.1905 176.9826 59 A 4.6759 7.7899 124.9239 54.0940 18.3949 178.8337 60 N 4.8423 7.9699 110.0719 52.8387 39.3154 173.9382 61 A 4.1705 7.9108 123.1301 51.1856 18.9581 178.8297 62 S 4.2603 8.3580 117.8859 57.7541 63.9035 173.9745 63 R 3.9531 8.1989 122.5058 55.2983 30.4010 174.7247 64 P 4.5337 0.0000 0.0000 63.0251 32.1096 175.5713 65 D 4.7613 8.7936 118.1114 55.0160 41.9176 176.7597 66 L 4.6212 7.5315 119.5812 53.7361 45.9480 173.7814 67 I 5.0247 8.5503 125.9152 59.4452 40.6856 174.2654 68 L 4.9381 8.8276 126.8633 53.1121 44.2173 175.3386 69 L 4.8652 8.5264 127.3165 53.4309 45.5948 176.0728 *71 L 4.1531 8.4933 116.2237 55.0229 43.7045 177.0329 72 N 4.6746 7.7863 116.9146 52.1075 37.3541 173.8646 73 L 4.5003 7.2419 119.9408 52.6764 44.0514 175.4953 74 P 4.3607 0.0000 0.0000 63.2355 31.8724 176.9951 75 K 3.6766 8.5921 117.1443 56.8049 32.0519 174.7963 76 K 4.4896 7.3544 120.9274 55.0735 35.8627 173.6537 77 D 4.8224 7.9805 127.2911 52.8621 41.6793 177.1611 78 G 3.6934 8.9377 107.8421 47.8632 0.0000 176.2633 79 R 3.9452 7.9624 119.7842 59.5218 30.1408 178.7785 80 E 3.9928 8.1910 118.0243 59.1839 29.3550 179.5446 81 V 3.5639 7.7369 118.3168 65.8527 31.5279 177.6950 82 L 3.8776 8.4543 120.1155 58.1844 41.8041 178.7131 83 A 3.9967 7.9505 120.5112 55.4556 18.1250 179.5473 84 E 3.9511 8.1649 115.7624 59.3485 29.6180 179.5114 85 I 3.8818 7.9853 120.1475 64.3468 37.1097 178.2833 86 K 4.2212 8.2075 116.6088 58.0106 32.0199 178.4152 87 S 4.6523 7.5865 114.6076 57.8311 63.8747 173.4899 88 D 4.5735 7.4803 123.3311 52.4866 41.2348 175.1642 89 P 4.5513 0.0000 0.0000 64.9779 31.3292 176.8194 90 T 4.4163 8.4853 108.1341 61.5432 70.0365 175.0414 91 L 4.6154 7.6249 120.8899 54.7888 43.9751 178.2369 92 K 4.0085 8.3960 117.6184 59.1957 32.3156 177.8790 93 R 4.2480 7.7426 116.7938 57.1614 30.7317 176.4527 94 I 3.9167 7.6304 120.0478 60.3260 37.6639 174.5103 95 P 4.3487 0.0000 0.0000 62.6430 32.6007 175.2650 96 V 4.5308 8.1230 123.4674 60.9735 34.4377 174.0115 97 V 4.3434 8.5535 128.7260 60.9932 33.4048 174.6308 98 V 4.0461 8.3951 129.7628 62.3776 32.5997 174.5012 99 L 4.9562 8.4567 130.0404 53.3746 43.4709 174.9150 100 S 4.7653 8.5722 120.5826 56.6446 66.2026 174.5345 101 T 4.0295 8.5227 111.4964 63.2310 69.2679 175.5008 102 S 4.2662 7.9968 116.5991 58.7752 62.7832 173.3778 103 I 4.5789 8.1651 125.1276 60.3429 38.6109 175.4218 104 N 4.3515 8.1625 120.7554 53.7080 39.5128 175.1392 105 E 4.0380 9.0894 131.2262 59.8863 29.7168 179.1196 106 D 4.4172 8.4571 121.4710 58.5059 39.8358 182.4627 107 D 4.7044 8.1162 120.2590 57.1380 40.9098 178.7620 108 I 3.1101 7.5996 120.2159 64.1286 37.0645 178.0625 109 F 3.9260 8.3043 121.3091 61.8345 39.2427 176.8941 110 H 4.3088 8.5233 115.6480 58.9779 28.5165 178.0272 111 S 4.1378 8.4924 117.2713 61.9781 62.7245 176.4672 112 Y 4.0065 7.9883 119.3419 60.8446 37.3447 177.7740 113 D 4.2204 7.9010 118.4475 56.6159 41.3160 177.2267 114 L 4.3524 7.5921 117.1954 54.4385 41.8376 176.1891 115 H 4.2344 7.9748 115.2320 56.5891 26.2242 175.7547 116 V 3.7863 7.4639 118.0999 61.6704 31.9524 175.9249 117 N 4.8019 8.3751 120.1908 56.5554 38.8931 175.0478 118 C 4.9671 7.6726 110.7943 57.3970 33.1362 172.0611 119 Y 4.9331 8.7842 120.7635 55.9111 41.1243 174.6528 120 I 4.7806 8.7009 126.6426 59.8582 41.3713 174.4272 121 T 4.8686 8.6716 123.5468 62.2952 69.1122 175.0268 122 K 4.0554 9.6316 127.5149 56.8055 33.0407 176.4308 123 S 4.5350 8.4906 117.2793 56.5460 63.3388 173.2822 124 A 3.9128 8.7212 131.5018 55.6860 18.4540 177.1743 125 N 4.3927 8.1978 118.0637 53.2484 36.9432 175.9785 126 L 3.9262 8.4295 125.1665 57.4147 41.9040 179.5605 127 S 4.3600 8.1468 116.6358 62.2698 63.4539 176.9371 128 Q 4.0491 8.1574 125.1187 59.5769 27.7897 180.3154 129 L 4.2595 7.9797 120.9521 57.7710 42.0763 178.8528 130 F 4.0477 8.4775 121.3193 61.3893 39.4938 177.0232 131 Q 4.0382 8.2759 118.5631 58.9946 28.7741 178.1497 132 I 3.7473 7.7383 121.2840 64.3075 37.1374 178.4713 133 V 3.5465 7.8102 119.1004 65.8734 31.2139 178.2529 134 K 4.0384 8.1801 118.5889 59.1509 31.8241 179.6187 135 G 3.5998 7.9789 106.1201 47.6986 0.0000 175.8299 136 I 4.0010 7.9471 122.4957 64.1516 37.1276 177.9864 137 E 3.9532 8.5435 120.4173 59.3352 29.4659 178.4684 138 E 3.9094 8.4019 119.2868 59.2217 29.6803 178.4937 139 F 3.8942 8.2334 120.5029 61.2316 39.2810 177.1816 140 W 3.9824 8.2621 117.0668 59.1166 29.0590 177.3178 141 L 4.5314 8.1261 115.4221 54.8962 41.6552 176.4112 142 S 4.4315 7.7336 111.1855 60.2864 64.5852 175.1855 143 T 3.7822 7.9251 115.0326 66.4097 68.2324 175.4272 144 A 3.7983 7.1677 122.5428 52.0047 18.8711 176.9578 145 T 4.3700 7.9949 116.4815 61.8514 69.6852 175.0711 146 L 4.5053 8.1035 126.6639 53.2348 42.8947 176.6077 147 P 4.1786 0.0000 0.0000 65.3336 31.6721 176.9877 148 S 4.3006 7.3545 115.0016 58.4563 62.9926 173.8058 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 9 A 8.25 4.34 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 10 H 8.17 4.37 0.00 3.54 3.32 0.00 5.52 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.83 4.68 0.00 1.74 1.73 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.40 7.81 12 K 9.34 4.91 0.00 1.74 1.63 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.58 7.81 13 I 8.85 4.86 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.45 0.86 0.00 0.00 14 F 9.23 5.14 0.00 2.89 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 15 L 8.69 4.63 0.00 1.59 1.28 0.78 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.16 4.27 1.90 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 0.66 0.00 0.00 0.58 0.00 0.00 17 E 8.81 4.78 0.00 1.98 1.58 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 2.14 2.29 0.00 18 D 8.73 4.72 0.00 2.76 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 9.17 4.62 0.00 2.78 2.87 0.00 0.00 7.10 7.93 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 20 K 8.50 3.85 0.00 1.79 1.85 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.46 1.13 7.81 21 A 7.78 4.19 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 22 D 8.50 4.33 0.00 2.78 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 23 I 7.84 3.70 2.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.71 0.89 0.00 0.00 24 R 7.98 3.94 0.00 1.83 1.94 0.00 3.27 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 25 L 7.83 4.23 0.00 1.76 1.91 1.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.00 3.64 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.04 0.85 0.00 0.00 27 Q 8.06 4.07 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 28 E 8.22 4.22 0.00 2.01 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 2.24 2.20 0.00 29 A 8.17 3.79 0.73 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 0.00 0.00 30 L 7.15 4.54 0.00 1.56 1.72 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.04 4.06 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 32 N 7.94 4.63 0.00 2.75 2.66 0.00 0.00 6.44 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 33 S 8.38 4.35 0.00 3.58 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 34 T 8.91 3.84 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 1.20 0.00 0.00 35 V 7.36 4.08 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 0.91 0.00 0.00 0.93 0.00 0.00 36 P 0.00 4.06 0.00 2.07 2.03 0.00 3.72 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 37 H 8.58 4.74 0.00 3.07 3.21 0.00 5.66 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 9.73 4.52 0.00 2.17 1.93 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 2.28 2.29 0.00 39 V 8.30 4.70 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 0.78 0.00 0.00 0.95 0.00 0.00 40 V 8.85 4.53 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 0.76 0.00 0.00 1.02 0.00 0.00 41 T 8.39 4.91 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 1.11 0.00 0.00 42 V 8.33 4.46 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 0.57 0.00 0.00 0.47 0.00 0.00 43 R 8.91 4.95 0.00 1.82 1.81 0.00 3.18 0.00 0.00 3.93 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.13 0.00 44 D 7.55 4.88 0.00 3.11 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 G 8.67 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 46 M 8.04 4.09 0.00 2.08 2.32 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 2.71 2.56 0.00 47 E 8.95 4.13 0.00 2.27 2.12 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 2.41 2.54 0.00 48 A 8.08 4.25 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 0.00 0.00 0.00 0.00 0.00 49 M 8.22 4.05 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.91 0.00 50 A 8.14 4.33 1.56 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 51 Y 8.11 3.38 0.00 2.77 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.93 3.89 0.00 1.64 1.66 1.00 0.80 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 53 R 8.13 4.25 0.00 1.87 1.95 0.00 3.31 0.00 0.00 3.23 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 54 Q 7.77 3.46 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.92 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 55 E 8.59 4.67 0.00 2.08 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 0.00 2.30 2.39 0.00 56 G 8.38 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.87 3.80 0.00 1.87 1.83 0.00 0.00 0.00 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 1.78 0.00 58 Y 7.66 4.63 0.00 3.11 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.79 4.68 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 7.97 4.84 0.00 2.67 2.77 0.00 0.00 6.88 7.35 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 61 A 7.91 4.17 0.67 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 0.00 0.00 62 S 8.36 4.26 0.00 3.98 3.88 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 63 R 8.20 3.95 0.00 1.73 1.83 0.00 3.20 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 64 P 0.00 4.53 0.00 2.40 2.05 0.00 3.68 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.79 0.00 65 D 8.79 4.76 0.00 2.51 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 66 L 7.53 4.62 0.00 1.68 1.39 0.51 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.55 5.02 1.81 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 1.38 0.52 0.93 0.00 0.00 68 L 8.83 4.94 0.00 1.41 1.43 0.84 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.53 4.87 0.00 1.58 1.39 0.85 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 *71 L 8.49 4.15 0.00 1.75 1.74 1.04 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 72 N 7.79 4.67 0.00 2.66 2.73 0.00 0.00 6.94 7.78 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 73 L 7.24 4.50 0.00 1.86 1.54 0.95 1.11 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 74 P 0.00 4.36 0.00 2.17 1.95 0.00 3.89 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 75 K 8.59 3.68 0.00 1.99 1.96 0.00 2.07 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.41 7.81 76 K 7.35 4.49 0.00 1.83 1.72 0.00 1.64 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.19 1.16 7.81 77 D 7.98 4.82 0.00 3.16 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 78 G 8.94 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 R 7.96 3.95 0.00 2.11 2.00 0.00 3.33 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 80 E 8.19 3.99 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 81 V 7.74 3.56 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 1.08 0.00 0.00 0.97 0.00 0.00 82 L 8.45 3.88 0.00 1.82 1.86 0.87 1.44 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 83 A 7.95 4.00 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 84 E 8.16 3.95 0.00 2.02 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 2.35 2.50 0.00 85 I 7.99 3.88 2.01 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 1.21 0.89 0.00 0.00 86 K 8.21 4.22 0.00 1.81 1.89 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.58 1.80 7.81 87 S 7.59 4.65 0.00 3.85 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 88 D 7.48 4.57 0.00 2.76 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 89 P 0.00 4.55 0.00 2.21 2.17 0.00 3.78 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 1.98 1.95 0.00 90 T 8.49 4.42 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 1.19 0.00 0.00 91 L 7.62 4.62 0.00 1.84 1.67 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.40 4.01 0.00 1.79 2.12 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.41 7.81 93 R 7.74 4.25 0.00 1.81 2.02 0.00 3.21 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 94 I 7.63 3.92 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.55 0.86 0.00 0.00 95 P 0.00 4.35 0.00 1.62 1.42 0.00 3.67 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 96 V 8.12 4.53 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 0.87 0.00 0.00 0.92 0.00 0.00 97 V 8.55 4.34 1.84 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 0.80 0.00 0.00 0.31 0.00 0.00 98 V 8.40 4.05 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.78 0.00 0.00 99 L 8.46 4.96 0.00 1.51 1.40 0.87 0.67 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 0.00 100 S 8.57 4.77 0.00 3.73 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.52 4.03 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 0.00 102 S 8.00 4.27 0.00 3.91 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 0.00 103 I 8.17 4.58 1.91 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 1.38 1.02 0.95 0.00 0.00 104 N 8.16 4.35 0.00 2.84 2.92 0.00 0.00 6.82 7.53 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 0.00 105 E 9.09 4.04 0.00 2.07 1.94 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 2.40 2.39 0.00 106 D 8.46 4.42 0.00 2.74 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 0.00 107 D 8.12 4.70 0.00 2.97 2.98 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 0.00 108 I 7.60 3.11 1.90 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.36 0.83 0.00 0.00 109 F 8.30 3.93 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 0.00 110 H 8.52 4.31 0.00 3.44 3.41 0.00 5.68 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 0.00 111 S 8.49 4.14 0.00 4.08 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 0.00 112 Y 7.99 4.01 0.00 2.95 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 0.00 113 D 7.90 4.22 0.00 2.36 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.59 4.35 0.00 1.85 1.68 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 115 H 7.97 4.23 0.00 3.37 3.48 0.00 5.66 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.46 3.79 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 0.15 0.00 0.00 0.87 0.00 0.00 117 N 8.38 4.80 0.00 2.59 3.06 0.00 0.00 6.76 8.90 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 0.00 118 C 7.67 4.97 0.00 3.20 3.32 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 0.00 119 Y 8.78 4.93 0.00 2.59 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 0.00 120 I 8.70 4.78 1.82 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.87 0.94 0.00 0.00 121 T 8.67 4.87 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 1.28 0.00 0.00 122 K 9.63 4.06 0.00 1.64 1.75 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.49 7.81 123 S 8.49 4.53 0.00 3.84 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 0.00 124 A 8.72 3.91 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 0.00 125 N 8.20 4.39 0.00 2.89 3.03 0.00 0.00 6.04 6.67 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 0.00 126 L 8.43 3.93 0.00 1.64 1.81 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 127 S 8.15 4.36 0.00 4.04 4.09 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 0.00 0.00 0.00 128 Q 8.16 4.05 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 129 L 7.98 4.26 0.00 1.98 1.93 0.95 0.91 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 0.00 130 F 8.48 4.05 0.00 3.30 3.22 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 0.00 131 Q 8.28 4.04 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.70 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 132 I 7.74 3.75 2.05 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 1.43 0.61 0.92 0.00 0.00 133 V 7.81 3.55 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 0.97 0.00 0.00 0.96 0.00 0.00 134 K 8.18 4.04 0.00 1.90 1.81 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.10 1.51 7.81 135 G 7.98 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 0.00 0.00 0.00 136 I 7.95 4.00 2.11 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 1.57 0.81 1.03 0.00 0.00 137 E 8.54 3.95 0.00 1.99 2.12 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 2.36 2.36 0.00 138 E 8.40 3.91 0.00 2.10 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 2.33 2.33 0.00 139 F 8.23 3.89 0.00 3.07 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 0.00 140 W 8.26 3.98 0.00 3.49 3.26 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 0.00 141 L 8.13 4.53 0.00 1.83 1.72 0.71 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 142 S 7.73 4.43 0.00 3.76 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 0.00 143 T 7.93 3.78 3.85 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 1.02 0.00 0.00 144 A 7.17 3.80 0.70 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 0.00 145 T 7.99 4.37 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 1.20 0.00 0.00 146 L 8.10 4.51 0.00 1.73 1.61 1.02 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 147 P 0.00 4.18 0.00 2.04 2.12 0.00 3.70 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.10 0.00 148 S 7.35 4.30 0.00 4.08 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 * Residues marked with a * may have inaccurate shift predictions.