NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 M 4.4162 8.3001 118.7934 54.3502 32.9054 177.2502 2 A 4.4888 8.6336 121.2618 51.1874 21.8624 174.8726 3 A 4.0601 9.2490 124.3215 52.7811 16.8444 174.7292 4 A 4.5430 8.2782 123.9103 51.3930 21.4088 176.0390 *5 D 4.8848 8.8997 123.9270 52.1744 42.8855 172.6484 *6 V 4.6212 8.4021 121.1657 57.7651 35.9754 169.1252 7 A 4.5364 9.1387 125.5620 52.3004 18.7031 176.4546 *8 Y 4.4002 8.9180 116.1793 54.4146 43.9231 179.2187 9 A 3.7354 7.7261 122.3965 54.1257 15.5331 175.8773 *10 P 4.3869 0.0000 0.0000 62.9938 31.5439 175.9857 *11 P 4.5258 0.0000 0.0000 64.0297 31.6257 181.8357 *12 M 4.4917 8.2560 117.6966 56.5743 32.7204 174.7276 *13 K 4.1482 10.6612 120.3028 57.9099 31.5436 172.7912 *14 S 4.6647 7.6563 116.3499 56.2548 66.4307 171.4198 15 G 3.8348 8.6618 108.4588 48.7767 0.0000 175.6154 *16 K 4.2387 8.1052 123.0076 56.3736 31.4753 183.3736 *17 I 4.5551 7.4302 117.0080 57.8840 38.6307 176.6336 18 G 4.1557 8.5933 117.5563 42.6406 0.0000 173.1261 *19 F 4.2216 8.3561 128.7454 58.2933 39.0600 173.1378 *20 E 4.7786 8.6204 121.8853 56.4750 34.2901 171.9702 *21 S 4.8967 8.3454 114.9675 59.5297 64.5816 172.1401 *22 S 4.5917 8.5396 122.0590 59.6229 62.9379 175.8340 *23 Q 3.8807 9.0622 113.7351 58.5088 24.1572 172.1077 *24 E 3.7033 8.7712 112.4896 58.0428 27.0068 173.5550 *25 V 3.4300 7.3084 127.7207 61.4492 32.4603 175.1719 *26 Q 4.3579 8.3782 123.6856 53.9373 28.9502 172.8016 27 H 5.0298 8.5256 122.2183 53.4887 29.6709 172.4756 28 R 4.5406 7.6084 116.8192 55.9537 33.7208 176.1119 29 I 4.0705 7.6908 119.0486 61.0170 37.5737 175.5617 30 R 4.5147 8.0445 119.8228 55.9584 30.2120 174.7319 31 I 3.9079 7.9257 111.7176 61.7780 38.2504 174.8170 32 T 4.5901 8.2375 116.0871 60.3574 70.2439 172.7011 33 L 4.7150 8.2632 126.8283 53.2112 44.1433 175.5884 34 S 5.0391 8.6677 120.4113 56.7249 66.2288 173.4068 35 S 5.0303 8.9404 121.2144 56.6580 65.7734 173.4619 36 K 4.9315 8.8800 124.5416 53.5877 35.1890 175.5357 37 S 4.8038 8.3140 118.5693 56.3722 66.2760 175.1682 38 V 3.5986 8.6470 121.9848 65.1003 31.4975 175.8886 39 K 4.6319 7.6809 120.5317 54.1164 34.4296 176.2916 40 N 4.5083 8.7555 123.9322 55.9823 36.0275 177.3238 41 L 3.9507 7.9176 120.8219 57.7267 41.3028 179.1163 42 E 4.1173 8.1985 118.0600 59.1689 29.3880 179.3502 43 K 3.9433 7.4493 118.9461 60.0498 32.5536 179.1981 44 V 3.5384 7.6663 119.7214 65.7157 31.1532 177.3889 45 C 4.1513 7.5945 115.8630 62.4227 30.9276 175.6992 46 G 3.6842 7.7537 106.5075 47.9668 0.0000 175.1970 47 D 4.3900 7.9667 120.4059 56.9223 41.2685 178.2816 48 L 4.0712 7.9927 120.6933 58.2963 41.9522 178.9982 49 V 3.5885 7.2365 118.1192 66.1000 31.2587 177.8843 50 K 3.9793 7.8082 117.5807 59.5391 31.7628 179.2649 51 G 3.6646 7.8659 105.0133 47.8033 0.0000 175.3253 52 A 4.0442 7.9891 122.8664 54.8302 18.5552 179.5442 53 K 3.8547 7.7898 116.5598 59.8274 30.7416 179.0932 54 D 4.3727 7.8426 118.7374 57.3134 40.5363 178.8244 55 K 3.9839 7.5105 118.6434 59.6870 32.2621 178.4816 56 S 4.2628 7.8028 113.9965 61.5508 62.8478 176.1272 57 L 4.0847 7.6514 121.1617 56.4888 41.9008 177.3140 58 K 4.6255 6.3247 125.0637 56.7949 34.6407 174.5692 59 V 4.3829 7.5591 116.2075 60.5901 34.1869 174.1214 60 K 4.2610 8.7005 127.9986 55.4883 32.8859 176.1014 61 G 4.2615 8.3787 113.4648 44.1830 0.0000 171.1114 62 P 4.7880 0.0000 0.0000 62.0534 33.0051 176.3277 63 V 4.1898 8.0711 114.6627 60.1510 33.4633 175.8045 64 R 4.1108 8.5657 118.2943 57.2181 29.6782 175.9990 65 M 4.8000 8.4050 117.8420 52.7904 33.8907 172.5978 66 P 4.9723 0.0000 0.0000 61.0769 33.4232 173.9251 67 T 4.4158 8.2511 119.8540 60.8677 69.0663 174.3367 68 K 4.1656 9.0704 127.0744 56.0289 31.3099 175.2332 69 V 4.5990 7.9373 118.1303 61.2361 34.5927 174.4079 70 L 4.8613 8.3950 124.7595 53.3452 44.5761 175.1227 71 H 5.4835 8.8911 120.4054 52.8886 32.2993 173.1307 72 I 4.4514 8.4131 123.0037 59.7740 40.0543 174.2737 73 T 4.5445 8.6652 122.2984 60.5055 69.2399 173.0332 74 T 4.3863 8.6009 123.6251 60.0813 69.2377 172.8590 75 R 5.3028 8.4922 128.4330 53.8415 31.5164 174.6675 76 K 4.4635 8.3492 124.9483 54.6671 34.1432 174.8528 77 S 4.1749 8.6108 122.3619 57.7075 62.2930 173.7784 78 P 4.3292 0.0000 0.0000 64.9812 31.4215 176.5107 79 C 4.8989 6.9073 110.9200 58.9006 31.5286 173.4259 80 G 3.6909 7.9496 110.6701 47.0013 0.0000 173.2825 81 E 4.3158 7.8307 122.8385 54.0870 31.1718 176.1035 82 G 4.1664 8.4048 113.7568 44.0029 0.0000 172.9849 83 T 4.5906 8.5892 119.9354 62.0857 71.8084 174.4008 84 N 4.8998 8.6110 119.3804 54.1785 42.0212 173.3120 85 T 4.5970 7.3940 111.9790 61.2038 70.8140 172.2506 86 W 3.7626 8.7648 120.3714 57.9124 26.0920 173.4916 87 D 5.1004 7.9770 118.5492 52.5807 41.8077 175.3045 88 R 4.8052 8.3294 116.2767 55.7564 33.9968 173.8661 89 F 4.9749 9.3756 121.7045 55.8995 40.3674 174.5866 90 E 4.6671 8.9159 126.1007 54.5121 31.0029 175.4384 91 M 4.7863 8.6595 121.4350 53.2646 33.7834 174.8797 92 R 4.5914 8.3307 123.2317 54.4395 32.3673 174.7269 93 V 4.5520 8.2361 125.9980 60.0503 33.9761 174.9502 94 H 4.9435 8.5411 121.2339 54.5824 33.1403 171.6500 95 K 4.7495 8.7409 125.9419 54.4822 36.0899 174.5785 96 R 4.6925 8.5529 126.0661 54.5754 33.0345 174.0804 97 V 4.4808 8.4646 126.5696 61.2176 33.1786 174.3059 98 I 4.8316 8.3134 129.6685 59.6977 38.3205 174.2314 99 D 5.0667 8.8040 127.7765 52.4106 43.4674 175.3466 100 L 4.8880 8.6045 125.8273 53.5013 43.7543 176.1196 101 V 4.4921 8.0080 119.0480 59.7849 33.8992 175.9252 102 S 4.2455 8.4781 115.3545 60.5215 62.6749 174.0866 103 S 4.6408 7.7496 113.1469 56.4895 64.9260 173.7718 104 A 4.4808 8.3003 131.4205 50.7469 17.6935 176.5128 105 D 4.6418 7.8865 122.2075 53.3503 43.3821 176.9502 106 V 3.5583 8.1772 119.6817 66.2671 31.4192 178.0144 107 V 3.5663 7.7808 117.4617 65.8939 31.3339 177.5639 108 K 3.8576 8.0208 118.7027 59.5434 32.0435 178.1360 109 Q 3.9054 7.8064 119.4105 59.2418 28.5851 178.1288 110 I 3.6356 7.5159 119.0199 64.3200 37.5679 177.6448 111 T 3.8217 7.6511 113.6552 65.1729 66.9760 175.7862 112 S 3.9405 7.7467 113.5988 61.4193 62.4978 175.5779 113 I 3.8187 7.6164 119.9274 64.2969 37.8225 177.4496 114 T 4.2336 7.3715 108.5839 63.3566 68.6886 173.8578 115 I 4.2445 6.9940 123.9547 58.4729 38.2843 173.9044 116 E 4.6003 8.4288 128.0133 53.9451 32.1181 173.2095 117 P 4.6559 0.0000 0.0000 62.3241 32.1035 175.9474 118 G 3.6412 7.9120 109.1890 46.2116 0.0000 172.8763 119 V 4.0377 8.4202 123.6912 64.1702 32.6012 176.0632 120 E 4.5100 7.9069 116.2730 55.5613 30.8295 175.3933 121 V 3.9562 7.6887 118.5749 63.1520 32.6817 174.7530 122 E 4.7454 8.8235 127.8259 54.5887 32.0342 175.3423 123 V 4.5879 8.4627 124.7172 60.0192 33.5988 174.9675 124 T 4.4992 7.8421 117.8623 59.8095 69.0118 173.7572 125 I 3.8605 8.5240 133.2367 62.0117 37.5976 176.3143 *126 S 4.6484 8.2267 122.6668 56.7083 66.3605 170.1184 *127 D 5.2157 8.1573 127.2871 54.9600 42.1455 176.7653 *128 Q 4.2652 8.4935 121.6762 54.4414 28.1434 173.2729 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 M 8.30 4.42 0.00 2.05 1.19 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.12 0.00 2 A 8.63 4.49 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 3 A 9.25 4.06 1.41 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 0.00 0.00 0.00 4 A 8.28 4.54 1.21 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 0.00 0.00 *5 D 8.90 4.88 0.00 2.66 2.42 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 *6 V 8.40 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 0.92 0.00 0.00 0.93 0.00 0.00 7 A 9.14 4.54 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 0.00 0.00 0.00 0.00 0.00 *8 Y 8.92 4.40 0.00 2.29 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 0.00 0.00 0.00 9 A 7.73 3.74 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 *10 P 0.00 4.39 0.00 2.10 1.97 0.00 3.76 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 1.94 1.58 0.00 *11 P 0.00 4.53 0.00 2.08 1.90 0.00 3.70 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 1.94 1.60 0.00 *12 M 8.26 4.49 0.00 2.02 1.87 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.09 0.00 *13 K 10.66 4.15 0.00 1.86 2.01 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.21 0.95 7.81 *14 S 7.66 4.66 0.00 3.55 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 15 G 8.66 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 *16 K 8.11 4.24 0.00 1.78 1.72 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.30 0.99 7.81 *17 I 7.43 4.56 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 1.35 0.67 0.91 0.00 0.00 18 G 8.59 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 0.00 0.00 0.00 *19 F 8.36 4.22 0.00 2.08 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 0.00 0.00 0.00 0.00 *20 E 8.62 4.78 0.00 1.61 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 2.22 1.88 0.00 *21 S 8.35 4.90 0.00 3.34 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 *22 S 8.54 4.59 0.00 3.59 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 *23 Q 9.06 3.88 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.64 0.00 0.00 0.00 0.00 0.00 2.14 1.90 0.00 *24 E 8.77 3.70 0.00 2.16 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 2.11 1.86 0.00 *25 V 7.31 3.43 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 0.78 0.00 0.00 0.93 0.00 0.00 *26 Q 8.38 4.36 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.21 0.00 0.00 0.00 0.00 0.00 2.30 2.16 0.00 27 H 8.53 5.03 0.00 3.02 3.19 0.00 5.64 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.61 4.54 0.00 1.76 1.87 0.00 3.26 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 29 I 7.69 4.07 1.91 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 1.45 0.91 0.92 0.00 0.00 30 R 8.04 4.51 0.00 1.82 2.09 0.00 3.08 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.54 0.00 31 I 7.93 3.91 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 1.29 0.59 0.91 0.00 0.00 32 T 8.24 4.59 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 33 L 8.26 4.72 0.00 1.67 1.54 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.67 5.04 0.00 3.73 3.74 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 35 S 8.94 5.03 0.00 3.74 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 36 K 8.88 4.93 0.00 1.67 1.56 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.29 1.16 7.81 37 S 8.31 4.80 0.00 3.83 3.77 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 38 V 8.65 3.60 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 0.83 0.00 0.00 0.98 0.00 0.00 39 K 7.68 4.63 0.00 1.80 1.61 0.00 1.93 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.38 7.81 40 N 8.76 4.51 0.00 2.95 3.06 0.00 0.00 6.26 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 41 L 7.92 3.95 0.00 1.71 1.77 0.92 0.97 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 42 E 8.20 4.12 0.00 2.01 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 2.40 2.37 0.00 43 K 7.45 3.94 0.00 2.01 2.06 0.00 1.31 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.63 1.44 7.81 44 V 7.67 3.54 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 0.98 0.00 0.00 0.95 0.00 0.00 45 C 7.59 4.15 0.00 3.00 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 46 G 7.75 3.68 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 0.00 0.00 0.00 47 D 7.97 4.39 0.00 2.83 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 48 L 7.99 4.07 0.00 1.87 1.67 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.24 3.59 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 0.97 0.00 0.00 0.97 0.00 0.00 50 K 7.81 3.98 0.00 2.01 1.94 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.63 7.81 51 G 7.87 3.66 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 0.00 52 A 7.99 4.04 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 53 K 7.79 3.85 0.00 1.98 1.88 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.65 7.81 54 D 7.84 4.37 0.00 2.84 2.81 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 0.00 0.00 0.00 55 K 7.51 3.98 0.00 1.72 2.06 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.49 7.81 56 S 7.80 4.26 0.00 4.06 3.92 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 57 L 7.65 4.08 0.00 1.80 1.90 0.94 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 58 K 6.32 4.63 0.00 1.73 1.78 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.20 1.14 7.81 59 V 7.56 4.38 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 0.93 0.00 0.00 60 K 8.70 4.26 0.00 1.75 1.69 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.42 7.81 61 G 8.38 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 62 P 0.00 4.79 0.00 2.08 2.05 0.00 3.96 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 63 V 8.07 4.19 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 0.72 0.00 0.00 0.93 0.00 0.00 64 R 8.57 4.11 0.00 1.81 1.95 0.00 2.97 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 65 M 8.40 4.80 0.00 2.04 2.19 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 2.45 2.58 0.00 66 P 0.00 4.97 0.00 2.04 2.06 0.00 3.70 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 1.86 1.91 0.00 67 T 8.25 4.42 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 68 K 9.07 4.17 0.00 1.97 1.87 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 1.41 7.81 69 V 7.94 4.60 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 0.94 0.00 0.00 70 L 8.40 4.86 0.00 1.87 1.57 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 71 H 8.89 5.48 0.00 2.92 3.17 0.00 5.88 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 I 8.41 4.45 1.87 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 1.24 1.00 0.91 0.00 0.00 73 T 8.67 4.54 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 1.23 0.00 0.00 74 T 8.60 4.39 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 1.22 0.00 0.00 75 R 8.49 5.30 0.00 1.62 1.68 0.00 2.83 0.00 0.00 4.01 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.74 0.00 76 K 8.35 4.46 0.00 1.75 1.70 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.41 7.81 77 S 8.61 4.17 0.00 3.89 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 0.00 78 P 0.00 4.33 0.00 2.06 2.13 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.35 0.00 79 C 6.91 4.90 0.00 2.90 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 80 G 7.95 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 81 E 7.83 4.32 0.00 1.91 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 2.24 2.34 0.00 82 G 8.40 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 0.00 0.00 0.00 0.00 83 T 8.59 4.59 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 1.18 0.00 0.00 84 N 8.61 4.90 0.00 2.62 2.76 0.00 0.00 6.80 7.54 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 85 T 7.39 4.60 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 1.10 0.00 0.00 86 W 8.76 3.76 0.00 3.20 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 87 D 7.98 5.10 0.00 2.90 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 88 R 8.33 4.81 0.00 1.95 2.09 0.00 3.14 0.00 0.00 3.41 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 89 F 9.38 4.97 0.00 2.84 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 90 E 8.92 4.67 0.00 1.94 1.89 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 2.22 2.33 0.00 91 M 8.66 4.79 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.58 0.00 92 R 8.33 4.59 0.00 1.96 1.90 0.00 3.23 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 93 V 8.24 4.55 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 0.94 0.00 0.00 0.98 0.00 0.00 94 H 8.54 4.94 0.00 3.20 3.14 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.74 4.75 0.00 1.85 1.55 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.34 7.81 96 R 8.55 4.69 0.00 1.86 1.73 0.00 3.17 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 97 V 8.46 4.48 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 0.98 0.00 0.00 0.95 0.00 0.00 98 I 8.31 4.83 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 0.82 0.95 0.00 0.00 99 D 8.80 5.07 0.00 2.77 2.48 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 0.00 100 L 8.60 4.89 0.00 1.56 1.57 0.92 0.99 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 0.00 101 V 8.01 4.49 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 0.76 0.00 0.00 1.05 0.00 0.00 102 S 8.48 4.25 0.00 3.87 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 0.00 103 S 7.75 4.64 0.00 3.79 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 0.00 104 A 8.30 4.48 1.24 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 0.00 0.00 0.00 105 D 7.89 4.64 0.00 2.85 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 0.00 106 V 8.18 3.56 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 1.03 0.00 0.00 0.93 0.00 0.00 107 V 7.78 3.57 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 0.98 0.00 0.00 0.93 0.00 0.00 108 K 8.02 3.86 0.00 1.82 1.92 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.45 7.81 109 Q 7.81 3.91 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 110 I 7.52 3.64 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 1.41 1.06 0.97 0.00 0.00 111 T 7.65 3.82 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 1.31 0.00 0.00 112 S 7.75 3.94 0.00 4.02 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 0.00 113 I 7.62 3.82 2.12 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 1.58 1.08 0.99 0.00 0.00 114 T 7.37 4.23 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 0.00 115 I 6.99 4.24 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 1.18 0.81 0.95 0.00 0.00 116 E 8.43 4.60 0.00 2.15 1.79 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 2.17 2.26 0.00 117 P 0.00 4.66 0.00 2.21 2.13 0.00 3.82 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 1.92 1.94 0.00 118 G 7.91 3.64 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 0.00 119 V 8.42 4.04 2.29 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 0.82 0.00 0.00 0.93 0.00 0.00 120 E 7.91 4.51 0.00 1.91 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 0.00 2.19 2.32 0.00 121 V 7.69 3.96 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 0.83 0.00 0.00 0.93 0.00 0.00 122 E 8.82 4.75 0.00 2.01 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 0.00 2.22 2.22 0.00 123 V 8.46 4.59 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 0.71 0.00 0.00 0.93 0.00 0.00 124 T 7.84 4.50 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 1.26 0.00 0.00 125 I 8.52 3.86 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 1.27 0.92 0.96 0.00 0.00 *126 S 8.23 4.65 0.00 3.57 3.58 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 0.00 0.00 0.00 *127 D 8.16 5.22 0.00 2.77 2.52 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 *128 Q 8.49 4.27 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.62 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 * Residues marked with a * may have inaccurate shift predictions.