NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.4774 8.3033 116.7964 55.8468 31.4942 179.1693 6 D 4.2564 9.0668 123.3224 56.1708 40.5011 175.4109 7 W 4.0536 8.5312 129.7605 60.3583 31.3049 176.4149 8 N 4.1312 8.9559 116.5783 57.1472 38.2703 176.5182 9 S 4.0634 7.5873 115.7308 61.8892 62.9069 176.8880 10 Q 3.9258 8.4189 120.9988 58.8138 28.3031 179.0596 11 V 3.3231 7.6653 119.6644 65.7858 31.4801 178.1423 12 I 3.5014 7.4526 119.5681 64.4814 36.8788 178.2792 13 Q 3.9745 8.1658 120.4216 59.0282 28.9647 177.7719 14 E 3.8881 8.4061 120.6997 58.9406 29.5667 178.3521 15 F 3.9512 8.4068 121.0021 61.6009 39.2095 177.4642 16 R 4.0478 8.1335 115.8138 59.2460 29.9755 178.7204 17 A 4.2017 8.2385 119.7752 53.9803 18.5309 177.4757 18 N 4.8602 7.8095 115.1716 53.0744 39.6271 174.6568 19 G 3.8492 9.1129 102.8266 46.8128 0.0000 175.3681 20 G 2.1654 7.8297 104.9855 44.5217 0.0000 174.0733 21 R 4.5722 7.1085 117.5261 53.8875 32.7682 175.5418 22 V 4.6206 8.0864 120.2096 61.0775 35.2976 175.5039 23 G 4.2529 9.3408 116.0177 45.6374 0.0000 173.4363 24 G 3.7871 8.6222 108.6544 46.3013 0.0000 175.9685 25 N 4.1986 8.9346 119.1566 55.6189 38.6723 175.4114 26 F 4.7511 7.8036 115.2516 56.8192 39.7585 175.1685 27 E 4.2968 7.4536 121.8881 57.1737 29.4641 177.5410 28 G 3.9829 9.0366 113.3749 45.6385 0.0000 173.1873 29 A 4.6600 7.8925 121.9333 49.9130 19.6396 175.4751 30 P 4.3415 0.0000 0.0000 61.7359 32.4125 176.1404 *32 V 4.0958 7.9067 117.6005 61.8693 33.0780 174.5420 33 L 4.2831 7.9926 124.1289 53.2735 43.1845 175.6652 34 V 4.1075 8.2340 125.7392 61.9558 32.6059 174.3270 35 H 5.2059 9.0184 126.3745 55.0168 30.4689 174.2435 36 H 5.4066 9.1513 118.1614 54.0272 32.8250 172.2859 37 V 4.8281 8.2721 117.3909 59.3619 34.2322 175.5502 38 G 3.8611 9.1006 112.5834 46.5519 0.0000 174.6737 39 R 4.3530 9.4494 123.6833 58.2074 29.7557 177.7200 40 K 4.3887 8.0288 116.7474 57.3995 33.7289 177.2261 41 T 4.0817 7.9603 107.2347 61.5716 69.4496 175.8089 42 G 3.9014 8.4119 109.3378 45.7345 0.0000 173.1359 43 K 4.6131 7.8472 119.1863 54.5278 34.1387 176.1354 44 A 4.6637 8.5187 125.2300 52.1488 19.2516 176.4969 45 A 4.6930 9.1034 121.8033 50.2512 23.4836 175.1532 46 V 4.6054 8.1764 117.9967 61.3616 34.5166 174.9162 47 T 4.7117 8.6030 123.9003 60.9753 71.8347 171.5728 48 P 4.8829 0.0000 0.0000 61.9300 32.3446 175.2547 *51 Y 4.9154 8.2467 119.8237 57.0890 39.7714 173.6066 52 L 4.9157 9.2418 122.3728 52.3742 44.5312 173.8461 53 P 4.8868 0.0000 0.0000 62.6398 32.1452 176.1816 54 S 4.5182 8.3885 118.1362 59.1293 62.2569 174.2316 55 D 4.6266 9.2179 126.1142 56.1503 41.1240 176.6474 56 D 4.7335 8.1516 117.1206 54.2928 43.0433 175.4453 57 D 4.6229 8.4205 118.0327 51.2642 42.6445 172.7153 58 P 4.3876 0.0000 0.0000 64.2199 31.9867 177.2702 59 G 3.8550 9.0956 110.6202 44.9553 0.0000 172.4646 60 T 5.0565 7.6084 116.8612 61.5946 70.9156 173.6916 61 I 4.7600 8.3923 119.2356 59.1897 41.3502 173.7740 62 Y 5.3462 8.9882 120.9414 56.4811 40.5890 175.3940 63 V 4.7813 8.6925 115.9871 59.4796 36.0777 174.7103 64 F 5.1844 9.0073 120.4104 55.1380 41.1196 176.2911 65 A 4.5942 8.8232 131.9498 51.3440 15.6100 177.7108 66 S 4.1850 8.4983 119.2820 59.2701 64.8535 175.2690 67 K 3.6696 8.7994 120.6474 58.6763 30.1992 173.8007 68 A 2.7153 8.3970 112.3526 52.7404 16.4946 178.2843 69 G 3.7792 7.7063 104.9815 47.2390 0.0000 174.7198 70 A 4.0960 7.7005 122.9546 51.4776 18.9552 179.1847 71 A 4.2799 8.5173 122.3899 54.3012 18.6174 178.1049 72 S 4.8299 7.0668 107.6292 55.8963 65.9802 173.7769 73 N 4.3003 8.5118 118.6688 52.5423 39.1832 173.5326 74 P 4.4157 0.0000 0.0000 62.0949 32.6136 177.0237 75 A 4.2051 8.8639 122.2126 55.4910 18.0547 180.1577 76 W 4.1702 8.2129 114.5193 59.7487 28.0116 177.8266 77 Y 3.6222 6.9946 120.0554 60.7221 38.1177 177.7508 78 Y 3.6982 7.5332 117.0221 60.7848 38.0852 178.0681 79 N 4.3984 8.3086 117.6293 56.3094 38.6152 177.5073 80 L 4.0519 8.2935 120.9748 58.0400 41.5473 179.6870 81 T 3.8688 7.5078 108.4796 64.6831 68.8126 176.7092 82 T 3.9716 7.8465 118.1044 66.4546 68.6067 176.0810 83 A 4.1895 8.0712 122.5534 52.9184 18.6866 179.5611 84 G 3.9601 9.6894 105.8483 45.7534 0.0000 172.6767 85 T 5.1340 7.2475 107.6465 60.9900 72.5491 172.3143 86 A 4.5213 8.5170 122.3538 51.6134 23.3544 174.6129 87 Q 4.9349 8.2004 117.8438 54.6852 32.5729 174.9666 88 V 4.7676 8.6241 117.1839 59.6208 36.5838 173.9852 89 E 4.9516 8.6733 122.5817 54.7268 31.8899 175.3553 90 V 4.7086 8.2276 123.9344 60.9446 34.8613 174.6981 91 G 3.9083 9.1698 117.2418 47.4570 0.0000 174.6895 92 T 4.3325 8.6926 114.8505 61.2506 69.3803 173.9574 93 E 4.8242 8.3856 122.5375 55.0683 32.1433 174.8309 94 T 4.9783 8.2583 116.7905 62.0220 71.7321 173.0671 95 Y 5.0273 8.1045 122.2757 55.4233 42.0206 174.1184 96 A 4.7051 8.6933 121.7592 52.0791 20.3051 176.6180 97 V 4.8656 8.8535 119.3749 61.1244 35.5377 174.7892 98 G 4.2038 9.2356 114.9377 45.7387 0.0000 172.4284 99 V 5.0811 8.7358 124.2727 61.0989 33.3245 174.9773 100 T 4.8128 8.7359 116.9515 59.9803 72.5869 172.1969 101 E 4.9266 8.7840 123.4326 55.1002 31.2972 175.0171 102 V 4.5183 8.5076 126.5590 61.6156 33.0963 174.9764 103 T 4.7042 8.0559 116.0796 60.2491 73.0510 174.1814 104 G 3.8915 8.4246 108.6635 46.3193 0.0000 175.1098 105 E 3.9086 9.0030 119.5167 59.8664 29.6388 179.0211 106 D 4.3751 8.0809 118.0512 57.2171 40.8015 178.6901 107 R 3.8630 7.7631 119.3590 59.6448 30.0976 178.3828 108 D 4.4393 8.2273 118.6853 57.2077 40.7675 178.8725 109 R 3.8966 8.1185 119.2848 59.4063 30.0662 178.6374 110 I 3.6521 7.6056 119.3743 64.5403 37.1295 177.5119 111 Y 3.8886 8.4242 120.6793 61.0684 38.5096 178.4665 112 S 4.2113 8.6077 116.1791 61.6316 63.0134 176.3860 113 E 3.8452 8.2476 121.8061 59.2904 29.3374 178.5043 114 Q 3.5888 8.1250 119.6313 59.1637 29.0141 178.3663 115 A 4.0667 8.0566 121.9597 54.9453 18.1183 179.6203 116 R 3.8250 7.8096 117.0145 59.5567 30.2079 178.5977 117 R 4.0751 7.6212 116.8778 57.4508 31.1098 176.2242 118 Y 4.6249 7.9354 116.2826 54.3234 38.9523 173.8970 119 P 4.8435 0.0000 0.0000 64.0893 31.6083 177.6786 120 G 3.6516 8.3188 104.6445 48.1257 0.0000 175.3523 121 F 3.5541 8.6744 119.4930 59.6851 38.8663 177.7789 122 A 4.1673 8.1332 120.9791 54.9441 18.0728 178.8536 123 D 4.2531 8.0257 116.1523 58.0499 41.2846 177.9973 124 Y 4.4067 7.5228 116.8171 61.5277 37.6121 178.8424 125 E 4.0512 7.9947 118.4800 58.9702 29.8349 179.1666 126 K 4.1156 8.0952 118.7242 59.6017 31.9808 179.4704 127 K 4.0485 8.1914 117.5772 59.0399 32.2414 178.4388 128 T 4.3580 7.6649 107.2870 60.4313 69.1575 174.2817 129 A 4.1947 7.2698 125.4771 53.5619 18.7928 178.6710 130 G 3.9887 8.9544 110.3937 45.6881 0.0000 173.2462 131 I 4.3369 7.9725 117.8452 61.9247 39.3012 175.7772 132 R 4.6128 7.3401 113.9527 54.8669 31.9275 174.2142 133 T 4.1041 8.1640 110.2935 60.7789 69.7857 174.3801 134 I 3.7721 8.0572 127.0814 60.6387 37.6761 174.2481 135 P 4.3700 0.0000 0.0000 62.4129 32.7290 175.4113 136 V 4.8146 8.4187 122.5052 61.1205 34.3372 173.9981 137 L 5.2850 8.9788 127.2785 52.9639 45.0443 175.1392 138 A 4.9471 9.0319 125.1500 50.7711 20.8818 175.9872 139 L 4.8237 9.0135 124.0487 53.7021 43.8219 175.8332 140 T 4.8189 8.7112 122.4771 61.3623 70.4216 174.5520 141 R 4.5894 8.9689 128.8035 56.9457 30.7034 176.4588 142 T 4.2819 8.7050 115.9589 61.8736 68.5410 173.6774 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 5 E 8.30 4.48 0.00 1.91 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 2.21 1.91 0.00 6 D 9.07 4.26 0.00 2.84 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 7 W 8.53 4.05 0.00 3.43 3.35 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 8 N 8.96 4.13 0.00 3.20 2.94 0.00 0.00 7.05 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 9 S 7.59 4.06 0.00 3.90 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 10 Q 8.42 3.93 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.65 0.00 11 V 7.67 3.32 1.53 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 0.69 0.00 0.00 -0.20 0.00 0.00 12 I 7.45 3.50 1.98 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 1.17 0.62 0.81 0.00 0.00 13 Q 8.17 3.97 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 14 E 8.41 3.89 0.00 2.10 2.03 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 2.30 2.30 0.00 15 F 8.41 3.95 0.00 3.14 3.10 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 16 R 8.13 4.05 0.00 1.90 2.03 0.00 3.23 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.86 0.00 17 A 8.24 4.20 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 18 N 7.81 4.86 0.00 2.96 2.70 0.00 0.00 6.77 7.25 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 19 G 9.11 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 0.00 0.00 0.00 0.00 20 G 7.83 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 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.11 4.57 0.00 1.74 1.77 0.00 3.06 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.38 0.00 22 V 8.09 4.62 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 1.22 0.00 0.00 0.94 0.00 0.00 23 G 9.34 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 0.00 0.00 0.00 0.00 24 G 8.62 3.79 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 0.00 0.00 0.00 25 N 8.93 4.20 0.00 2.30 2.58 0.00 0.00 6.69 7.45 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 26 F 7.80 4.75 0.00 3.35 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 27 E 7.45 4.30 0.00 2.13 1.97 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 2.38 2.44 0.00 28 G 9.04 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 29 A 7.89 4.66 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 30 P 0.00 4.34 0.00 0.52 1.30 0.00 3.55 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.88 0.00 *32 V 7.91 4.10 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 0.84 0.00 0.00 0.70 0.00 0.00 33 L 7.99 4.28 0.00 1.13 1.21 0.46 0.14 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 34 V 8.23 4.11 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.56 0.00 0.00 35 H 9.02 5.21 0.00 3.27 3.16 0.00 5.81 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 9.15 5.41 0.00 3.27 3.40 0.00 5.40 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 37 V 8.27 4.83 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 0.76 0.00 0.00 0.96 0.00 0.00 38 G 9.10 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 0.00 0.00 0.00 39 R 9.45 4.35 0.00 1.93 2.12 0.00 3.04 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.61 0.00 40 K 8.03 4.39 0.00 1.74 1.87 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.37 7.81 41 T 7.96 4.08 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 1.22 0.00 0.00 42 G 8.41 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 43 K 7.85 4.61 0.00 1.74 1.72 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.39 7.81 44 A 8.52 4.66 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 45 A 9.10 4.69 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 46 V 8.18 4.61 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 0.54 0.00 0.00 0.60 0.00 0.00 47 T 8.60 4.71 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 1.22 0.00 0.00 48 P 0.00 4.88 0.00 1.63 1.69 0.00 3.48 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.48 0.00 *51 Y 8.25 4.92 0.00 3.23 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 52 L 9.24 4.92 0.00 2.03 2.03 0.97 1.15 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 53 P 0.00 4.89 0.00 2.24 2.30 0.00 3.91 0.00 0.00 3.55 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 54 S 8.39 4.52 0.00 3.74 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 55 D 9.22 4.63 0.00 2.79 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 56 D 8.15 4.73 0.00 2.71 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 57 D 8.42 4.62 0.00 2.66 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.39 0.00 2.05 1.96 0.00 3.70 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 2.09 0.00 59 G 9.10 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 0.00 0.00 0.00 60 T 7.61 5.06 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 0.83 0.00 0.00 61 I 8.39 4.76 1.75 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.84 0.53 0.00 0.00 62 Y 8.99 5.35 0.00 2.92 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 63 V 8.69 4.78 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 0.75 0.00 0.00 1.05 0.00 0.00 64 F 9.01 5.18 0.00 3.38 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.82 4.59 0.66 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 0.00 0.00 66 S 8.50 4.18 0.00 3.76 4.55 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 67 K 8.80 3.67 0.00 1.85 1.69 0.00 1.86 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 1.36 1.39 7.81 68 A 8.40 2.72 1.08 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 0.00 0.00 69 G 7.71 3.78 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 0.00 0.00 0.00 70 A 7.70 4.10 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 71 A 8.52 4.28 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 72 S 7.07 4.83 0.00 4.01 3.80 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 73 N 8.51 4.30 0.00 2.85 2.39 0.00 0.00 6.98 8.02 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 74 P 0.00 4.42 0.00 1.84 2.10 0.00 3.20 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.59 0.00 75 A 8.86 4.21 1.47 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 0.00 0.00 76 W 8.21 4.17 0.00 3.20 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 77 Y 6.99 3.62 0.00 1.98 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 78 Y 7.53 3.70 0.00 3.18 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 79 N 8.31 4.40 0.00 3.07 3.10 0.00 0.00 6.97 6.70 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 80 L 8.29 4.05 0.00 1.73 1.76 1.11 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 81 T 7.51 3.87 4.07 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 0.89 0.00 0.00 82 T 7.85 3.97 4.41 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 1.22 0.00 0.00 83 A 8.07 4.19 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 84 G 9.69 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 85 T 7.25 5.13 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 1.21 0.00 0.00 86 A 8.52 4.52 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 87 Q 8.20 4.93 0.00 1.83 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.66 0.00 0.00 0.00 0.00 0.00 1.93 2.30 0.00 88 V 8.62 4.77 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 0.43 0.00 0.00 -0.04 0.00 0.00 89 E 8.67 4.95 0.00 1.65 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 2.21 2.12 0.00 90 V 8.23 4.71 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 1.04 0.00 0.00 0.66 0.00 0.00 91 G 9.17 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 92 T 8.69 4.33 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 1.18 0.00 0.00 93 E 8.39 4.82 0.00 2.26 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 2.28 2.34 0.00 94 T 8.26 4.98 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 1.12 0.00 0.00 95 Y 8.10 5.03 0.00 2.87 2.94 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 96 A 8.69 4.71 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 97 V 8.85 4.87 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 0.94 0.00 0.00 1.00 0.00 0.00 98 G 9.24 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 0.00 0.00 0.00 99 V 8.74 5.08 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 0.95 0.00 0.00 100 T 8.74 4.81 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 1.23 0.00 0.00 101 E 8.78 4.93 0.00 2.06 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 2.29 2.61 0.00 102 V 8.51 4.52 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 0.81 0.00 0.00 1.02 0.00 0.00 103 T 8.06 4.70 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 1.24 0.00 0.00 104 G 8.42 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 0.00 0.00 0.00 105 E 9.00 3.91 0.00 2.09 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 2.39 2.49 0.00 106 D 8.08 4.38 0.00 2.75 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 0.00 107 R 7.76 3.86 0.00 1.88 2.13 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 108 D 8.23 4.44 0.00 2.91 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 0.00 109 R 8.12 3.90 0.00 1.90 2.15 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 110 I 7.61 3.65 1.89 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.48 0.80 0.00 0.00 111 Y 8.42 3.89 0.00 3.29 3.10 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 0.00 112 S 8.61 4.21 0.00 4.06 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 0.00 113 E 8.25 3.85 0.00 2.09 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 2.33 2.35 0.00 114 Q 8.12 3.59 0.00 1.31 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 115 A 8.06 4.07 1.38 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 0.00 0.00 0.00 116 R 7.81 3.82 0.00 1.91 2.05 0.00 3.23 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 117 R 7.62 4.08 0.00 1.62 1.47 0.00 3.13 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.80 0.00 118 Y 7.94 4.62 0.00 3.05 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 0.00 119 P 0.00 4.84 0.00 2.13 2.09 0.00 3.89 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 120 G 8.32 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 0.00 121 F 8.67 3.55 0.00 2.93 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 0.00 122 A 8.13 4.17 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 0.00 123 D 8.03 4.25 0.00 2.71 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 0.00 124 Y 7.52 4.41 0.00 3.27 2.94 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 0.00 125 E 7.99 4.05 0.00 2.12 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 2.09 2.22 0.00 126 K 8.10 4.12 0.00 2.01 1.87 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.67 7.81 127 K 8.19 4.05 0.00 1.91 1.99 0.00 1.74 0.00 0.00 1.86 0.00 0.00 3.23 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.63 7.81 128 T 7.66 4.36 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 1.28 0.00 0.00 129 A 7.27 4.19 1.33 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 0.00 0.00 130 G 8.95 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 0.00 0.00 0.00 131 I 7.97 4.34 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.70 0.92 0.00 0.00 132 R 7.34 4.61 0.00 1.79 1.80 0.00 3.11 0.00 0.00 3.32 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 133 T 8.16 4.10 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 1.16 0.00 0.00 134 I 8.06 3.77 1.77 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.48 1.23 0.00 0.00 135 P 0.00 4.37 0.00 1.52 1.70 0.00 3.39 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.37 0.00 136 V 8.42 4.81 2.11 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 0.88 0.00 0.00 1.19 0.00 0.00 137 L 8.98 5.28 0.00 1.76 1.64 1.13 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 138 A 9.03 4.95 1.38 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 0.00 0.00 0.00 139 L 9.01 4.82 0.00 1.46 1.56 0.81 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 140 T 8.71 4.82 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 1.18 0.00 0.00 141 R 8.97 4.59 0.00 1.45 1.61 0.00 2.90 0.00 0.00 2.96 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.55 0.00 142 T 8.71 4.28 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 1.28 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.