NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 P 4.5929 0.0000 0.0000 62.2823 34.4345 175.3976 12 L 5.0122 7.6751 121.8999 51.8833 44.4297 173.5875 13 M 5.0751 9.5437 123.7260 53.5673 35.9248 173.7498 14 V 4.8516 8.4311 118.9623 61.0006 35.2863 174.1035 15 K 5.0040 9.0425 128.0303 54.5860 35.5753 174.8072 16 V 4.8326 8.8015 126.4566 61.1142 34.6950 174.0103 17 L 5.0833 9.0014 127.5648 52.9570 45.2834 174.8851 18 D 5.1632 9.1208 122.3004 52.8022 42.4060 176.5294 19 A 4.3491 9.3872 128.5354 53.4984 18.6055 178.4765 20 V 3.8944 8.9530 115.6690 64.9421 31.9222 177.1123 21 R 4.3217 8.5217 116.1698 55.4271 31.2505 175.9614 22 G 3.9831 8.1650 106.0733 45.9494 0.0000 172.7448 23 S 4.7531 7.4134 111.1511 55.7673 67.2021 172.7459 24 P 4.6622 0.0000 0.0000 63.0327 32.0775 176.1944 25 A 4.4874 9.0387 125.5292 50.1680 19.4635 176.4442 26 I 4.3056 8.4336 115.7846 60.8631 39.5925 175.3822 27 N 4.1932 8.3627 120.2390 54.3557 36.8474 174.4229 28 V 4.0659 7.7694 117.8767 61.8715 33.1360 175.0337 29 A 4.6192 8.5692 129.8920 51.9829 19.9328 176.1247 30 V 4.8104 8.8174 121.2869 61.3749 35.3009 173.8743 31 H 5.1058 9.4626 124.7088 53.8811 31.9953 172.6879 32 V 4.9332 8.9049 123.6572 61.1609 34.1470 174.3599 33 F 5.5860 9.5106 125.3083 55.7414 43.4176 173.7682 34 R 4.7645 9.3106 121.4398 54.1449 33.0889 174.4243 35 K 3.8474 8.4020 128.2167 55.8924 32.6801 176.7867 36 A 4.2152 8.8109 130.9636 50.8091 19.6363 177.7968 37 A 3.8369 8.5294 124.4822 55.9620 18.4164 178.8977 *38 D 4.7146 7.9347 113.1498 53.2406 39.8511 179.8072 39 D 4.3280 7.8620 117.3296 55.8966 39.1051 174.1994 40 T 4.2653 6.9686 109.8485 60.8693 70.9500 173.6003 41 W 5.0597 8.6770 125.0170 56.2456 30.3561 176.2506 42 E 4.9110 9.3809 124.3728 54.1517 31.3780 170.3213 43 P 4.5165 0.0000 0.0000 62.9887 31.3567 174.9289 44 F 4.8961 8.9781 125.4216 59.4105 41.1987 174.9536 45 A 4.5562 7.6385 117.5156 51.3448 22.3109 174.7722 46 S 4.7457 7.8181 112.5583 57.6598 66.2182 173.5090 47 G 3.9647 7.8139 106.5373 46.2494 0.0000 171.9714 48 K 5.3137 8.4891 118.3091 54.2283 35.5037 176.9947 49 T 4.2301 8.5295 114.3050 61.8892 70.2593 174.8896 50 S 4.6771 8.7438 118.8048 57.3210 64.9103 174.5555 51 E 3.9334 8.6869 118.9674 59.1002 29.1022 178.0693 52 S 4.4187 7.8607 111.4325 57.6915 63.5306 174.8632 53 G 3.9468 8.3803 109.6636 45.4930 0.0000 172.6990 54 E 5.0407 7.7268 118.1939 54.1061 33.0040 174.7531 55 L 4.8017 8.8255 124.3866 53.8123 45.0452 175.1173 56 H 4.9039 8.6908 122.2852 54.3316 32.4331 174.1195 57 G 3.8833 8.7857 104.5802 46.3776 0.0000 174.8915 58 L 3.9576 7.8297 121.3481 57.5020 41.7277 176.6904 59 T 4.3630 7.3006 109.9344 61.3157 70.5728 171.8172 60 T 4.6320 8.1346 115.7956 59.9635 71.2143 175.9228 61 E 4.2152 8.8170 118.1563 59.2098 29.9980 178.9287 62 E 4.2592 8.3809 117.7133 59.4011 29.6037 178.0848 63 E 4.3568 7.9067 116.2077 58.0145 30.3139 177.2632 64 F 5.0427 7.9592 122.8387 57.1087 37.6422 174.6967 65 V 4.0262 7.5207 117.6256 59.5666 33.2207 175.6213 66 E 4.0948 8.6285 121.8521 56.5995 29.9968 176.4763 67 G 3.7264 7.8032 111.5657 46.7303 0.0000 170.5398 68 I 4.8289 7.1460 120.0688 59.8524 39.0509 174.8760 69 Y 5.1026 8.7566 124.8701 55.8601 41.4913 174.5323 70 K 4.8568 9.3234 124.1804 54.6336 35.1538 174.6456 71 V 4.8500 8.9207 127.8531 61.2769 33.8828 173.9113 72 E 5.1341 9.4988 127.8120 54.6267 32.4645 174.8480 73 I 4.5945 8.9137 125.8644 59.7266 39.7780 175.6531 74 D 5.0687 9.0809 129.9787 53.8130 38.2522 176.9793 75 T 4.0776 7.9021 114.3762 63.9080 69.6161 176.8567 76 K 4.1625 7.9761 122.4032 59.7100 32.3208 178.8245 77 S 4.1668 8.1699 114.8431 61.6957 62.3319 175.8787 78 Y 3.9391 7.6170 120.8265 60.6387 38.4949 178.3565 79 W 4.3047 8.4268 120.0195 59.7585 29.2111 178.7562 80 K 4.2201 8.6996 119.6418 58.9100 31.2707 179.2744 81 A 4.0583 7.7920 119.8820 54.5398 18.3348 178.8739 82 L 4.2114 7.2279 114.6998 55.0717 41.9653 177.5290 83 G 3.9095 8.0025 106.8555 45.9549 0.0000 173.1054 84 I 4.4297 8.1094 120.1674 58.9249 39.6607 175.3110 85 S 4.4384 8.6021 120.2357 56.3781 62.6316 172.1214 86 P 4.3680 0.0000 0.0000 61.3661 32.9670 176.1231 87 F 3.8687 8.1838 120.5768 60.8558 39.3649 175.7485 88 H 4.5817 7.8395 115.5580 54.9400 29.8819 175.5382 89 E 4.0127 8.6838 121.7708 59.5541 29.5024 176.5535 90 H 5.3919 7.8841 111.3054 53.7646 33.6575 172.2189 91 A 3.7847 8.5235 121.5870 50.4073 20.4217 176.0625 92 E 5.2954 8.5466 122.1576 54.5780 33.3022 174.8276 93 V 4.7005 8.7725 124.0907 60.2251 35.3005 173.7079 94 V 5.0730 8.5892 123.0859 61.2732 33.7822 174.3831 95 F 5.1648 8.9385 121.3537 55.9517 41.7953 173.0815 96 T 4.9123 8.7407 116.6353 62.7259 69.6634 174.1023 97 A 4.6854 8.9124 127.9359 50.6194 22.2773 175.9563 98 N 4.7060 9.1678 116.4140 54.1376 36.5136 175.1870 99 D 4.6024 8.2842 116.8659 55.4614 41.6541 176.4792 100 S 4.6348 8.1854 114.2957 58.5698 64.0367 174.7202 101 G 4.0071 8.2248 105.6175 43.9235 0.0000 171.6685 102 P 4.7632 0.0000 0.0000 63.1637 31.4995 175.7738 103 R 4.7735 9.0276 119.8477 54.5669 34.5074 174.4714 104 R 4.9865 8.6065 119.4436 55.0354 32.5683 175.2227 105 Y 5.0768 9.3067 120.7972 56.4755 41.8038 174.5182 106 T 4.9592 9.0057 120.9226 61.8612 71.5431 173.2894 107 I 4.6529 8.7933 128.2603 60.1249 38.7060 174.6681 108 A 5.0462 9.2052 130.5665 50.2057 20.9054 175.0450 109 A 5.1719 9.1573 125.1051 50.1834 22.3193 174.7366 110 L 5.0663 8.8961 123.8725 53.2595 44.7749 174.9478 111 L 5.4463 9.0425 126.5633 53.2857 44.3423 175.8674 112 S 5.2007 9.4969 118.8748 55.9955 67.0064 173.3925 113 P 3.2428 0.0000 0.0000 65.1877 31.0949 177.7718 114 Y 4.6741 7.7810 111.9624 57.2471 38.6989 174.9746 115 S 4.6840 8.0873 113.9574 57.4973 65.6890 172.6502 116 Y 5.6189 7.7282 123.1611 55.8517 41.1661 173.8485 117 S 5.0460 9.2666 114.4598 56.7501 66.6433 172.8829 118 T 5.1588 8.6730 111.3252 60.3665 71.4291 173.1048 119 T 4.6994 9.0114 121.3090 61.6102 72.4597 172.6005 120 A 4.8362 8.6347 127.8825 50.7033 20.3662 176.3992 121 V 4.1024 8.9617 124.2172 61.6061 33.1546 174.7216 122 V 4.6255 8.3107 128.4245 61.1403 33.3775 174.6300 123 T 4.6912 8.7270 117.8805 59.7465 72.3350 173.8315 124 N 4.5036 8.4417 120.1505 53.8951 39.3831 173.9549 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 11 P 0.00 4.59 0.00 2.43 2.59 0.00 3.70 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 1.91 2.07 0.00 12 L 7.68 5.01 0.00 0.79 1.14 0.92 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.54 5.08 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 14 V 8.43 4.85 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 0.89 0.00 0.00 0.90 0.00 0.00 15 K 9.04 5.00 0.00 1.77 1.54 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.30 7.81 16 V 8.80 4.83 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 0.76 0.00 0.00 0.79 0.00 0.00 17 L 9.00 5.08 0.00 1.59 1.53 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 18 D 9.12 5.16 0.00 2.65 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 19 A 9.39 4.35 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 20 V 8.95 3.89 2.69 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 0.94 0.00 0.00 0.92 0.00 0.00 21 R 8.52 4.32 0.00 1.93 2.03 0.00 3.62 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 22 G 8.17 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 0.00 0.00 0.00 23 S 7.41 4.75 0.00 3.88 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 24 P 0.00 4.66 0.00 1.94 2.17 0.00 3.67 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 2.02 2.10 0.00 25 A 9.04 4.49 0.64 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 26 I 8.43 4.31 1.87 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 1.41 0.73 1.02 0.00 0.00 27 N 8.36 4.19 0.00 2.92 2.94 0.00 0.00 6.89 7.84 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 28 V 7.77 4.07 1.86 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 0.70 0.00 0.00 0.37 0.00 0.00 29 A 8.57 4.62 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 30 V 8.82 4.81 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 0.97 0.00 0.00 0.90 0.00 0.00 31 H 9.46 5.11 0.00 3.13 2.85 0.00 5.82 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.90 4.93 2.25 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 1.34 0.00 0.00 0.96 0.00 0.00 33 F 9.51 5.59 0.00 3.05 3.27 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 34 R 9.31 4.76 0.00 1.48 1.68 0.00 2.81 0.00 0.00 2.81 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.00 35 K 8.40 3.85 0.00 0.79 1.15 0.00 1.40 0.00 0.00 1.34 0.00 0.00 2.19 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.92 0.31 7.81 36 A 8.81 4.22 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 37 A 8.53 3.84 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 *38 D 7.93 4.71 0.00 2.61 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 39 D 7.86 4.33 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 40 T 6.97 4.27 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 1.17 0.00 0.00 41 W 8.68 5.06 0.00 3.08 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 42 E 9.38 4.91 0.00 1.62 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 2.18 2.11 0.00 43 P 0.00 4.52 0.00 2.08 2.20 0.00 3.83 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 2.07 2.07 0.00 44 F 8.98 4.90 0.00 3.08 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 45 A 7.64 4.56 1.01 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 46 S 7.82 4.75 0.00 3.59 3.54 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 47 G 7.81 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 48 K 8.49 5.31 0.00 1.56 1.64 0.00 1.74 0.00 0.00 1.91 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.35 7.81 49 T 8.53 4.23 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 1.13 0.00 0.00 50 S 8.74 4.68 0.00 3.99 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 51 E 8.69 3.93 0.00 1.95 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 2.31 2.36 0.00 52 S 7.86 4.42 0.00 3.99 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 53 G 8.38 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 54 E 7.73 5.04 0.00 1.84 1.61 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 2.25 2.41 0.00 55 L 8.83 4.80 0.00 1.57 1.36 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.69 4.90 0.00 2.99 3.15 0.00 6.02 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 57 G 8.79 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 0.00 0.00 0.00 58 L 7.83 3.96 0.00 1.54 1.64 0.86 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.30 4.36 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 1.02 0.00 0.00 60 T 8.13 4.63 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 1.20 0.00 0.00 61 E 8.82 4.22 0.00 2.01 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 2.23 1.91 0.00 62 E 8.38 4.26 0.00 2.00 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 2.36 2.38 0.00 63 E 7.91 4.36 0.00 2.06 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 2.37 2.40 0.00 64 F 7.96 5.04 0.00 3.18 3.09 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 65 V 7.52 4.03 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 0.85 0.00 0.00 0.98 0.00 0.00 66 E 8.63 4.09 0.00 1.94 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 2.49 2.35 0.00 67 G 7.80 3.73 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 0.00 68 I 7.15 4.83 1.64 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 1.30 0.66 1.03 0.00 0.00 69 Y 8.76 5.10 0.00 1.94 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 70 K 9.32 4.86 0.00 0.87 1.25 0.00 0.73 0.00 0.00 1.30 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.00 7.81 71 V 8.92 4.85 2.25 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 0.95 0.00 0.00 1.18 0.00 0.00 72 E 9.50 5.13 0.00 1.97 1.73 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 2.30 2.30 0.00 73 I 8.91 4.59 1.71 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 1.14 0.61 0.75 0.00 0.00 74 D 9.08 5.07 0.00 2.73 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 75 T 7.90 4.08 4.45 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 1.14 0.00 0.00 76 K 7.98 4.16 0.00 2.13 1.93 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.53 7.81 77 S 8.17 4.17 0.00 3.95 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 78 Y 7.62 3.94 0.00 2.98 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 79 W 8.43 4.30 0.00 3.48 3.30 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 80 K 8.70 4.22 0.00 1.91 1.89 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.50 7.81 81 A 7.79 4.06 1.29 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 0.00 0.00 82 L 7.23 4.21 0.00 1.77 1.78 0.27 0.92 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 83 G 8.00 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 0.00 0.00 0.00 84 I 8.11 4.43 2.25 0.00 0.00 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 1.32 1.18 0.65 0.00 0.00 85 S 8.60 4.44 0.00 3.99 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 P 0.00 4.37 0.00 2.21 1.90 0.00 3.77 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.20 0.00 87 F 8.18 3.87 0.00 1.57 2.57 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 88 H 7.84 4.58 0.00 3.33 3.51 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.68 4.01 0.00 1.79 1.60 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 2.25 2.14 0.00 90 H 7.88 5.39 0.00 2.94 3.27 0.00 5.75 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 91 A 8.52 3.78 0.27 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 92 E 8.55 5.30 0.00 1.92 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 2.15 2.38 0.00 93 V 8.77 4.70 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 0.79 0.00 0.00 1.08 0.00 0.00 94 V 8.59 5.07 2.18 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 1.08 0.00 0.00 0.84 0.00 0.00 95 F 8.94 5.16 0.00 3.23 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 96 T 8.74 4.91 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 1.29 0.00 0.00 97 A 8.91 4.69 0.56 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 98 N 9.17 4.71 0.00 2.71 2.86 0.00 0.00 6.90 7.92 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 99 D 8.28 4.60 0.00 2.64 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 0.00 100 S 8.19 4.63 0.00 3.88 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 0.00 101 G 8.22 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 0.00 102 P 0.00 4.76 0.00 2.24 2.13 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 103 R 9.03 4.77 0.00 1.36 1.56 0.00 3.20 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 104 R 8.61 4.99 0.00 1.71 1.84 0.00 3.07 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 105 Y 9.31 5.08 0.00 2.95 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 0.00 106 T 9.01 4.96 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 1.20 0.00 0.00 107 I 8.79 4.65 1.86 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.99 0.90 0.00 0.00 108 A 9.21 5.05 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 0.00 109 A 9.16 5.17 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 0.00 110 L 8.90 5.07 0.00 1.80 1.58 0.98 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 111 L 9.04 5.45 0.00 1.83 2.03 0.52 0.93 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 0.00 112 S 9.50 5.20 0.00 3.91 3.73 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 0.00 113 P 0.00 3.24 0.00 2.12 1.61 0.00 3.33 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.85 0.00 114 Y 7.78 4.67 0.00 2.80 2.83 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 0.00 115 S 8.09 4.68 0.00 3.78 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 0.00 116 Y 7.73 5.62 0.00 3.08 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 0.00 117 S 9.27 5.05 0.00 3.93 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 0.00 118 T 8.67 5.16 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 1.32 0.00 0.00 119 T 9.01 4.70 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 1.21 0.00 0.00 120 A 8.63 4.84 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 0.00 121 V 8.96 4.10 2.05 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 0.95 0.00 0.00 0.91 0.00 0.00 122 V 8.31 4.63 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 0.39 0.00 0.00 0.84 0.00 0.00 123 T 8.73 4.69 4.19 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 1.16 0.00 0.00 124 N 8.44 4.50 0.00 2.58 2.62 0.00 0.00 6.88 7.56 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 * Residues marked with a * may have inaccurate shift predictions.