NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3549 8.3545 119.0728 56.3849 30.9326 176.1131 2 N 4.7965 8.5697 115.9690 51.3463 41.3538 170.4419 3 D 4.7140 8.0059 116.8868 53.3305 41.9551 180.6473 4 C 4.3121 8.3669 118.1037 60.0919 32.6844 174.0844 5 V 3.5431 8.5170 127.5262 66.3006 31.0208 177.7620 6 L 3.8183 7.8225 119.2594 58.2047 41.9600 178.5135 7 D 4.3511 7.9644 118.3648 57.2610 40.9023 178.7095 8 V 3.5745 7.7410 118.7139 66.3442 31.4681 177.9832 9 M 4.0919 8.2800 118.6458 58.7734 31.7286 178.4657 10 H 4.3043 8.6001 116.5350 58.8266 28.9667 177.7537 11 A 4.0973 8.2415 125.0618 55.8747 18.2249 180.4479 12 I 3.7491 7.7996 118.5563 65.1606 35.4413 179.6158 13 Y 4.1724 8.4176 121.5748 60.7456 38.7528 178.0555 14 Q 3.9202 8.4157 120.4790 59.4044 29.2354 178.3671 15 Q 3.9893 7.9746 118.5652 59.0282 28.7478 178.4698 16 N 4.3412 8.1005 117.6171 55.7693 38.5279 177.5136 17 K 3.7928 8.0766 123.8922 60.0275 32.2227 179.3395 18 E 3.8128 7.8772 118.3551 61.3503 29.5947 180.2960 19 H 4.1849 8.0533 119.2951 58.8808 29.9086 177.0820 20 F 4.1781 8.1839 122.3515 61.5216 39.2673 177.1627 21 Q 2.6546 7.5099 117.4368 58.6028 28.2146 178.5740 22 D 4.4092 7.9722 121.4063 56.6436 40.9205 178.4510 23 E 3.8634 8.1405 120.0064 59.2554 29.5291 178.7472 24 C 4.1528 7.9646 117.0292 62.9180 27.9777 176.1025 25 T 3.9084 8.1607 113.7807 65.4242 68.1011 176.9050 26 K 3.9042 8.0466 126.1002 59.4776 31.7502 180.1720 27 L 4.2879 7.6358 119.9332 57.2604 42.1776 178.3503 28 L 4.6310 8.2243 121.0141 56.4502 42.2364 177.3936 29 V 3.9736 7.8602 118.9545 65.1537 30.9357 176.2601 30 G 4.0653 9.0109 118.5054 45.2272 0.0000 173.0258 31 N 4.5968 8.6572 121.0697 54.1192 40.6860 174.5596 32 I 4.9594 8.3279 124.1586 59.5182 38.0772 176.6118 33 V 4.6228 8.8113 129.6870 60.2699 33.8078 172.1251 34 I 5.0070 9.1023 124.0929 59.9020 39.2369 176.3137 35 T 4.8279 8.6196 121.8836 58.4027 68.3562 172.8923 36 R 3.7700 9.0059 129.2681 58.5731 30.2570 178.2523 37 Y 4.3626 7.8267 114.4851 59.0513 38.0494 175.9368 38 N 4.9092 6.6169 114.6434 51.0554 38.8353 173.6665 39 N 4.0717 8.0835 117.7874 55.2602 36.7659 174.6450 40 R 4.5168 7.7134 116.4604 55.5952 32.3023 177.5919 41 T 4.9778 7.8171 117.4655 61.8910 71.2980 173.4918 42 Y 4.6828 8.7938 124.4684 56.8909 42.7166 175.3056 43 R 4.6196 8.7403 124.4431 56.3000 30.2850 174.1454 44 I 3.7983 8.5627 127.4843 60.9703 37.3862 176.9592 45 D 4.6740 9.1174 127.8958 56.4443 42.1608 175.7154 46 D 4.5236 7.6317 118.1589 54.2797 45.0772 174.9158 47 V 4.4569 8.0560 119.2187 59.3296 34.8974 172.9210 48 D 4.5457 8.8217 126.8049 51.7983 41.0987 177.0863 49 W 4.3384 8.7879 126.7445 58.8364 29.4549 177.2030 50 N 4.7626 8.4578 116.5592 53.6657 38.5833 175.4419 51 K 4.7769 7.6253 119.8116 52.9490 34.9837 179.9319 52 T 5.1022 7.7742 111.2864 59.5666 70.5407 173.1003 53 P 4.5362 0.0000 0.0000 64.9440 31.5949 179.0235 54 K 4.1125 8.0995 117.0742 59.1875 32.3588 177.2428 55 D 4.7655 8.4601 118.5821 54.6263 41.9728 175.9191 56 S 5.0872 8.6222 116.2655 56.8652 65.8975 173.4962 57 F 4.9972 7.9523 116.0844 55.3618 41.2777 173.8551 58 T 4.6379 8.5072 117.1018 63.1149 69.7708 175.0293 59 M 4.4763 9.0049 126.6740 53.7761 33.7831 177.1373 60 S 4.1028 8.7678 114.0062 61.6036 62.6581 175.0508 61 D 4.6281 8.0321 117.0212 52.7035 39.3605 176.9714 62 G 3.9475 8.0521 108.4820 44.9406 0.0000 174.1033 63 K 4.0820 7.8948 122.1155 56.4316 33.1855 175.4477 64 E 4.8718 8.7243 129.0623 55.8267 31.3749 176.1530 65 I 4.6385 7.5533 121.7745 58.8542 40.3489 173.9982 66 T 4.5606 8.3018 115.1658 60.4807 70.1324 175.7662 67 F 4.5229 8.6911 121.7019 60.6755 38.6738 177.9954 68 L 4.2453 8.1679 121.4252 58.8518 41.5001 180.2115 69 E 4.2396 8.1819 118.9233 60.4053 29.6047 180.3550 70 Y 4.1695 8.2277 119.6062 61.2638 38.9675 177.9753 71 Y 4.1029 8.3039 117.8484 60.6627 37.8004 178.5471 72 S 4.3984 8.1064 119.1604 61.6629 63.0823 177.4686 73 K 3.9325 7.9512 126.5971 58.9266 31.4999 180.0049 74 N 4.3863 7.5629 115.9087 54.3612 38.8498 175.5706 75 Y 4.6185 7.4364 114.2947 56.5398 39.9098 176.1921 76 G 3.8925 8.0178 107.1366 46.2125 0.0000 173.1362 77 I 4.2911 7.6833 120.3288 59.6807 38.4948 174.8773 78 T 4.6146 8.3193 122.1890 61.6490 69.0883 174.6294 79 V 3.9260 8.3187 127.5177 62.4915 31.8141 175.8584 80 K 3.9814 9.2861 130.5248 59.6976 32.1101 178.2587 81 E 4.3995 8.1943 117.5410 54.6361 28.5479 177.3470 82 E 4.3378 8.7380 125.9222 57.0849 29.8894 178.0263 83 D 5.0311 8.0216 115.9527 51.6724 41.3410 181.5333 84 Q 4.2271 7.7573 117.7340 56.4068 29.2588 174.4527 85 P 5.0215 0.0000 0.0000 61.8257 33.5185 174.6563 86 L 4.5947 7.9955 118.3211 52.9539 44.8749 175.9551 87 L 4.5622 8.8414 125.2530 54.2471 43.7091 176.1632 88 I 4.6238 8.6166 124.0875 59.0608 38.0065 171.3514 89 H 5.0457 9.1473 128.0755 53.6366 32.0695 173.3976 90 R 4.5687 8.5751 126.8396 54.0852 29.4307 174.5850 91 P 4.1697 0.0000 0.0000 65.3921 31.5787 177.8611 *105 E 4.2366 7.5510 113.8787 54.4900 32.2628 179.1723 106 I 4.3369 7.9908 117.7908 59.6735 39.1783 174.2661 107 L 5.0370 8.3849 126.9802 52.8604 43.8290 175.8640 108 L 4.8674 8.6299 123.6020 52.7730 45.5984 175.4322 109 L 4.4938 8.1206 121.4724 52.9945 42.7540 176.2216 110 P 4.0899 0.0000 0.0000 65.4446 31.5861 178.2865 111 E 3.7741 8.3979 118.3342 58.2893 29.6432 177.0033 112 L 4.7259 7.8185 116.5758 54.4412 43.1954 176.0868 113 S 5.0927 7.3098 115.7631 56.7600 65.0978 173.7065 114 F 4.7914 9.0168 121.7682 55.6455 42.6091 174.6748 115 M 4.6426 8.7863 122.1388 55.7629 32.3018 176.6051 116 T 4.2861 8.1976 111.1687 61.8588 69.7367 174.7947 117 G 4.0124 7.7976 113.9457 45.2681 0.0000 172.6834 118 I 4.0119 8.5445 126.2201 61.2172 37.3105 175.2411 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 R 8.35 4.35 0.00 1.85 1.80 0.00 3.23 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 2 N 8.57 4.80 0.00 2.76 2.65 0.00 0.00 6.76 7.17 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 3 D 8.01 4.71 0.00 2.69 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 4 C 8.37 4.31 0.00 2.97 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 5 V 8.52 3.54 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 1.05 0.00 0.00 0.92 0.00 0.00 6 L 7.82 3.82 0.00 1.77 1.56 0.92 1.26 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 7 D 7.96 4.35 0.00 2.90 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 8 V 7.74 3.57 2.22 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 1.03 0.00 0.00 1.00 0.00 0.00 9 M 8.28 4.09 0.00 2.06 2.23 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 2.76 2.58 0.00 10 H 8.60 4.30 0.00 3.33 3.33 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.24 4.10 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 7.80 3.75 1.87 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 1.41 0.70 0.91 0.00 0.00 13 Y 8.42 4.17 0.00 3.14 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 14 Q 8.42 3.92 0.00 2.48 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 15 Q 7.97 3.99 0.00 2.35 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 16 N 8.10 4.34 0.00 2.81 2.71 0.00 0.00 6.64 7.38 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 17 K 8.08 3.79 0.00 1.29 1.73 0.00 1.68 0.00 0.00 1.89 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.32 7.81 18 E 7.88 3.81 0.00 2.05 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 0.00 2.24 2.19 0.00 19 H 8.05 4.18 0.00 3.28 3.47 0.00 5.56 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.18 4.18 0.00 3.05 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 21 Q 7.51 2.65 0.00 1.63 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.73 0.00 22 D 7.97 4.41 0.00 2.67 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 23 E 8.14 3.86 0.00 2.13 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 2.30 2.30 0.00 24 C 7.96 4.15 0.00 3.25 3.07 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 25 T 8.16 3.91 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 1.48 0.00 0.00 26 K 8.05 3.90 0.00 1.85 1.79 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.34 7.81 27 L 7.64 4.29 0.00 1.73 1.95 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 28 L 8.22 4.63 0.00 1.85 1.62 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.86 3.97 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 0.69 0.00 0.00 0.93 0.00 0.00 30 G 9.01 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 0.00 0.00 0.00 0.00 31 N 8.66 4.60 0.00 2.97 2.70 0.00 0.00 7.12 8.83 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 32 I 8.33 4.96 1.87 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 1.20 0.67 0.91 0.00 0.00 33 V 8.81 4.62 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 0.62 0.00 0.00 0.93 0.00 0.00 34 I 9.10 5.01 1.87 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 1.09 0.68 0.91 0.00 0.00 35 T 8.62 4.83 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 36 R 9.01 3.77 0.00 1.72 2.05 0.00 3.08 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.35 0.00 37 Y 7.83 4.36 0.00 2.95 2.99 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 38 N 6.62 4.91 0.00 3.02 2.96 0.00 0.00 6.97 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 39 N 8.08 4.07 0.00 2.82 2.87 0.00 0.00 6.72 7.28 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 40 R 7.71 4.52 0.00 1.49 1.78 0.00 3.20 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 41 T 7.82 4.98 4.08 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 1.18 0.00 0.00 42 Y 8.79 4.68 0.00 2.78 2.45 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 43 R 8.74 4.62 0.00 1.60 1.75 0.00 3.27 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 0.00 44 I 8.56 3.80 1.87 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 1.23 0.36 0.91 0.00 0.00 45 D 9.12 4.67 0.00 2.65 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 0.00 0.00 0.00 0.00 46 D 7.63 4.52 0.00 2.63 2.40 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 47 V 8.06 4.46 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 0.80 0.00 0.00 0.93 0.00 0.00 48 D 8.82 4.55 0.00 2.55 2.45 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 49 W 8.79 4.34 0.00 3.32 3.21 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 50 N 8.46 4.76 0.00 2.91 2.90 0.00 0.00 6.65 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 51 K 7.63 4.78 0.00 1.64 1.63 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.32 0.95 7.81 52 T 7.77 5.10 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 1.30 0.00 0.00 53 P 0.00 4.54 0.00 2.30 2.19 0.00 3.87 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.02 0.00 54 K 8.10 4.11 0.00 1.82 1.94 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.68 7.81 55 D 8.46 4.77 0.00 3.18 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 56 S 8.62 5.09 0.00 3.75 3.59 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 57 F 7.95 5.00 0.00 2.93 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 58 T 8.51 4.64 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 59 M 9.00 4.48 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 60 S 8.77 4.10 0.00 3.98 4.04 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 61 D 8.03 4.63 0.00 2.79 2.78 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 62 G 8.05 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 63 K 7.89 4.08 0.00 1.89 1.62 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.36 7.81 64 E 8.72 4.87 0.00 1.78 1.70 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 2.14 2.22 0.00 65 I 7.55 4.64 1.87 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 1.28 0.81 0.91 0.00 0.00 66 T 8.30 4.56 4.48 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 1.28 0.00 0.00 67 F 8.69 4.52 0.00 3.48 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 68 L 8.17 4.25 0.00 1.76 1.83 1.05 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.18 4.24 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 2.04 0.00 70 Y 8.23 4.17 0.00 3.20 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 71 Y 8.30 4.10 0.00 3.29 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 72 S 8.11 4.40 0.00 4.02 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 0.00 73 K 7.95 3.93 0.00 1.88 1.77 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.35 7.81 74 N 7.56 4.39 0.00 1.61 1.53 0.00 0.00 6.83 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 75 Y 7.44 4.62 0.00 2.96 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 G 8.02 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 77 I 7.68 4.29 1.97 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.34 0.91 0.00 0.00 78 T 8.32 4.61 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 1.24 0.00 0.00 79 V 8.32 3.93 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 0.83 0.00 0.00 0.93 0.00 0.00 80 K 9.29 3.98 0.00 1.92 1.85 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.44 7.81 81 E 8.19 4.40 0.00 1.99 1.78 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 2.20 2.14 0.00 82 E 8.74 4.34 0.00 1.98 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 2.35 2.33 0.00 83 D 8.02 5.03 0.00 2.66 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 84 Q 7.76 4.23 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.24 0.00 85 P 0.00 5.02 0.00 1.56 1.94 0.00 3.23 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 1.52 1.43 0.00 86 L 8.00 4.59 0.00 1.37 1.28 0.25 0.32 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 87 L 8.84 4.56 0.00 1.40 1.44 0.80 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.62 4.62 1.87 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 1.11 0.81 0.91 0.00 0.00 89 H 9.15 5.05 0.00 3.06 3.02 0.00 5.53 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.58 4.57 0.00 1.82 1.84 0.00 3.18 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.49 0.00 91 P 0.00 4.17 0.00 2.16 2.21 0.00 3.47 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 1.97 2.04 0.00 *105 E 7.55 4.24 0.00 2.04 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 0.00 2.13 1.91 0.00 106 I 7.99 4.34 1.94 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 1.23 0.60 0.47 0.00 0.00 107 L 8.38 5.04 0.00 1.43 1.37 0.97 0.86 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 0.00 108 L 8.63 4.87 0.00 1.42 1.45 0.63 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.12 4.49 0.00 1.34 1.55 0.48 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.09 0.00 2.05 1.97 0.00 3.72 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 1.95 1.88 0.00 111 E 8.40 3.77 0.00 1.95 1.85 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 2.26 2.22 0.00 112 L 7.82 4.73 0.00 1.69 1.88 0.26 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 113 S 7.31 5.09 0.00 3.55 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 0.00 114 F 9.02 4.79 0.00 2.98 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 0.00 115 M 8.79 4.64 0.00 1.92 2.15 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 116 T 8.20 4.29 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 1.30 0.00 0.00 117 G 7.80 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 0.00 118 I 8.54 4.01 1.88 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 1.28 0.63 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.