NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.2965 8.1749 117.3713 63.3003 70.7339 174.0129 4 I 4.0123 7.6982 122.5125 60.6550 37.7552 174.1284 5 R 4.5752 9.5403 127.3524 54.4112 33.2272 175.0254 6 R 4.8583 8.2227 121.3206 54.6743 32.7571 174.6562 7 Y 4.6144 9.0425 121.5165 55.8525 41.8672 174.8156 8 D 4.6473 8.4583 118.2923 55.3686 39.5866 173.6434 9 V 4.0708 7.4626 117.8064 62.4943 33.0906 174.5660 10 N 4.7606 8.7356 125.9543 51.5255 39.1051 174.5331 11 E 3.9572 8.7341 127.2361 59.2102 30.0904 177.8731 12 D 4.4575 8.1963 117.2281 56.8521 40.9486 177.1314 13 R 4.1856 8.1005 117.0662 55.4116 30.9396 175.7336 14 G 4.0053 7.6034 105.3400 47.0248 0.0000 171.8350 15 H 5.1019 7.4237 111.8751 54.1858 33.2783 172.8356 16 T 4.7325 8.4017 115.1590 61.6748 69.9032 175.0906 17 G 3.7611 9.0939 114.5926 48.9378 0.0000 173.3965 18 L 5.1768 8.2949 122.8744 53.6348 45.9327 174.8525 19 V 4.8159 9.3339 127.4152 61.2525 33.9036 173.7489 20 E 4.6101 9.4124 129.9024 55.0620 31.2498 174.5978 21 A 4.6927 9.0355 129.2583 49.3478 20.8603 177.2269 22 G 3.8043 8.6606 114.2873 47.8347 0.0000 172.9725 23 D 4.7137 8.8037 125.4274 53.4831 41.1756 175.0251 24 F 5.2765 8.0495 118.8291 55.7610 42.6890 174.0538 25 Y 5.1261 9.0401 119.0619 56.5787 41.6492 173.8657 26 Y 4.8634 9.5482 122.6714 56.2521 40.4174 174.6510 27 L 5.0870 8.6507 124.7739 53.0974 43.5911 176.2120 28 N 4.8581 8.7696 123.3300 53.0794 39.9320 173.8821 29 Y 4.4415 8.4610 120.0494 58.0561 38.5482 175.4568 30 C 5.1718 9.4629 120.0428 58.1007 31.2577 173.3126 31 V 4.7098 8.7580 121.3537 60.6221 34.1440 174.3019 32 G 3.9545 8.8497 109.3510 45.3214 0.0000 172.2177 33 N 3.9915 8.5629 113.9042 54.0336 36.1466 175.0062 34 V 3.6576 7.3953 115.6254 63.7910 32.9875 175.6816 35 G 4.1182 8.9461 113.1711 45.1617 0.0000 173.5515 36 Q 4.7691 7.1004 118.4196 54.2339 30.7134 174.9873 37 D 4.6712 8.1697 119.1884 52.9602 41.6142 176.8935 38 I 3.6312 8.1814 118.5994 64.1390 37.8391 177.0335 39 E 3.8400 8.1227 119.5447 59.6236 29.4347 178.8454 40 S 4.0944 8.5143 115.0873 61.7608 62.7776 176.8160 41 Q 4.2488 8.1036 122.0591 58.1381 28.4066 178.7776 42 I 2.8013 7.4931 120.9865 64.0584 36.9661 178.0742 43 N 4.5091 8.2251 117.5949 56.3761 38.3993 177.7445 44 G 3.5531 8.4260 107.1535 47.6197 0.0000 175.6208 45 A 4.0528 7.9416 122.3693 55.0860 18.5221 179.4541 46 F 4.7759 7.8970 115.0957 60.7878 39.1516 177.2733 47 D 4.6150 8.5432 118.9248 57.2400 40.7028 179.9213 48 E 4.2464 8.1528 118.7645 56.3821 29.6069 178.3992 *50 E 4.1946 8.1870 118.3237 55.9354 31.6789 178.1388 51 R 3.8537 8.3323 117.5832 59.6018 30.3619 178.4544 52 R 4.0411 8.0291 117.5573 59.3840 30.0518 179.1418 53 L 3.8633 7.8711 117.9169 57.5656 41.5981 179.2004 54 A 4.0676 8.0467 120.5061 54.5392 18.0061 179.4164 55 L 3.9555 7.4438 117.0905 56.9764 41.5553 178.4805 56 V 4.0458 7.0630 109.4890 60.7270 32.1024 175.7810 57 G 3.7511 7.8526 106.6476 46.3095 0.0000 174.0581 58 L 4.5229 7.7672 119.0761 52.7076 44.0506 175.2824 59 T 4.6288 7.5967 109.0489 59.3452 71.8802 174.5472 60 L 3.8227 8.1672 119.9290 57.4027 41.5730 179.3182 61 D 4.2599 7.6771 117.1049 56.7542 41.2836 176.6842 62 A 4.3045 8.1481 120.4678 52.2805 19.1698 176.8419 63 V 4.1999 7.4056 117.0001 62.9290 32.0142 175.8405 64 V 4.3010 8.9637 120.8473 62.5652 33.9654 175.1275 65 Q 5.5396 7.5787 119.4621 55.6454 33.1928 172.4302 *67 D 4.8395 8.4823 119.0231 54.4008 42.6352 174.5654 68 C 4.9192 8.9594 121.2877 57.9147 30.8745 172.7182 69 L 5.1550 8.3872 124.6048 52.9943 43.8480 175.5599 70 F 5.4241 9.1112 122.3688 55.6218 41.8916 176.4784 71 R 4.1603 9.5057 123.8470 58.1698 31.0058 175.8380 72 D 5.0168 8.3182 118.4845 51.6234 42.8688 176.1114 73 V 3.2175 9.1574 128.7936 63.7044 31.1630 177.6516 74 W 4.1879 7.9711 118.4496 58.3153 29.1934 176.6933 75 N 4.7249 8.0332 116.5315 53.3796 37.9130 176.4355 76 I 3.5649 6.9861 122.8917 64.3796 37.6016 176.0502 77 P 4.4461 0.0000 0.0000 65.0433 30.8352 178.8536 78 V 3.6247 7.3388 114.6296 63.5136 30.9770 176.4435 *80 E 4.3631 8.2578 119.9416 55.9246 31.2845 178.5335 81 K 3.7934 7.8757 116.0473 57.3233 31.8716 178.2169 *83 I 4.3410 7.8814 119.7551 60.9825 38.8164 178.2523 84 K 4.2327 7.9961 118.3469 59.4236 31.7880 179.0327 85 E 4.1947 8.1109 118.0880 58.6515 29.4681 178.4728 86 R 4.4638 8.0848 115.5843 56.6632 32.1452 177.2906 87 F 4.1789 8.6877 116.2566 57.7074 40.1942 176.3221 88 N 4.3714 8.3815 112.2973 54.3048 34.9745 174.4969 89 G 3.5670 8.1153 113.5452 46.1042 0.0000 171.3068 90 R 4.1165 7.3103 118.1166 54.4513 31.3406 174.2905 91 Y 4.8042 7.8114 120.3843 55.2733 40.2487 174.3723 92 P 4.7594 0.0000 0.0000 61.8994 33.1924 175.5110 93 A 4.4267 8.6094 122.2003 52.3801 19.5011 176.7350 94 R 4.9303 8.1514 115.4766 55.3223 32.7358 173.7901 95 K 4.8196 8.5240 117.1048 55.3926 36.4532 175.0968 96 S 5.4830 8.6872 116.3175 57.0028 66.1776 173.6327 97 I 4.6674 8.9084 123.5215 59.5823 41.2222 174.0021 98 Q 4.9222 8.6756 127.5029 55.4298 29.8670 174.4963 99 T 4.6032 8.4884 119.7758 60.3329 71.3760 173.0324 100 E 4.0490 8.5359 125.2307 56.2091 30.2940 176.3625 101 F 4.9694 8.1282 118.8030 55.6426 42.0161 175.8197 102 A 4.4404 8.3880 124.8541 51.8026 17.7962 176.9675 103 H 5.0096 7.7198 118.8471 55.5123 33.4419 173.2435 104 H 4.3335 8.5468 119.5785 55.7489 29.4483 174.7239 105 G 4.1559 8.7064 110.9364 46.2784 0.0000 173.1104 106 G 4.0131 8.7782 110.7371 44.5723 0.0000 169.9757 107 P 4.4434 0.0000 0.0000 64.2807 31.6825 175.9127 108 Q 3.9875 8.3844 119.6833 56.0712 26.2658 173.9165 109 G 4.1075 7.8416 107.4932 44.0369 0.0000 173.5663 110 L 4.2362 8.2034 121.7956 54.5789 42.4764 176.1449 111 L 4.9463 9.3314 124.9730 55.1286 44.6635 176.0168 112 F 5.2111 7.7348 118.8350 57.1541 42.3541 173.1731 113 Q 4.5846 8.1106 123.2276 54.2468 33.7617 174.1438 114 V 4.8369 8.2405 119.5501 60.2658 35.1763 173.7278 115 D 5.1049 8.6010 122.0911 52.2014 43.2758 173.6517 116 G 4.1526 7.7888 103.5512 46.1453 0.0000 172.2227 117 V 4.9959 8.6450 118.9427 60.9458 34.6623 174.7027 118 A 5.3775 9.3692 128.6007 50.3350 22.7283 174.0847 119 Y 4.9394 8.8783 119.8957 55.9692 41.7661 174.9752 120 S 4.1309 8.2046 120.5673 56.6180 66.1622 172.8348 121 K 3.9413 8.1936 129.0914 56.1664 32.4997 176.1308 122 H 4.4088 9.1491 123.2842 56.0520 28.6854 175.1048 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 3 T 8.17 4.30 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 4 I 7.70 4.01 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.56 0.96 0.00 0.00 5 R 9.54 4.58 0.00 1.81 1.44 0.00 3.03 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 6 R 8.22 4.86 0.00 1.56 1.79 0.00 3.12 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 7 Y 9.04 4.61 0.00 3.02 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 8 D 8.46 4.65 0.00 2.94 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 9 V 7.46 4.07 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 0.93 0.00 0.00 10 N 8.74 4.76 0.00 2.71 2.45 0.00 0.00 6.59 7.75 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 11 E 8.73 3.96 0.00 1.95 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 2.28 2.27 0.00 12 D 8.20 4.46 0.00 2.86 2.72 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 0.00 0.00 0.00 0.00 13 R 8.10 4.19 0.00 1.88 1.58 0.00 3.51 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 14 G 7.60 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 15 H 7.42 5.10 0.00 3.18 3.42 0.00 5.61 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.40 4.73 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 1.36 0.00 0.00 17 G 9.09 3.76 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 0.00 0.00 0.00 18 L 8.29 5.18 0.00 1.84 1.62 1.09 0.65 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 19 V 9.33 4.82 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 0.87 0.00 0.00 1.00 0.00 0.00 20 E 9.41 4.61 0.00 2.38 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 0.00 2.09 1.66 0.00 21 A 9.04 4.69 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 22 G 8.66 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 0.00 0.00 0.00 23 D 8.80 4.71 0.00 2.63 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 0.00 0.00 0.00 0.00 24 F 8.05 5.28 0.00 3.26 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 25 Y 9.04 5.13 0.00 2.82 2.88 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 26 Y 9.55 4.86 0.00 2.91 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 27 L 8.65 5.09 0.00 1.91 1.63 0.98 0.21 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 28 N 8.77 4.86 0.00 2.89 2.48 0.00 0.00 7.24 8.01 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 29 Y 8.46 4.44 0.00 2.95 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 30 C 9.46 5.17 0.00 2.95 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 31 V 8.76 4.71 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 0.66 0.00 0.00 0.85 0.00 0.00 32 G 8.85 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 33 N 8.56 3.99 0.00 2.95 2.81 0.00 0.00 6.45 7.68 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 34 V 7.40 3.66 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 0.62 0.00 0.00 0.85 0.00 0.00 35 G 8.95 4.12 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 0.00 36 Q 7.10 4.77 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 37 D 8.17 4.67 0.00 2.91 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 38 I 8.18 3.63 1.93 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 1.63 1.19 0.94 0.00 0.00 39 E 8.12 3.84 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 2.37 2.39 0.00 40 S 8.51 4.09 0.00 4.00 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 41 Q 8.10 4.25 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 42 I 7.49 2.80 1.63 0.00 0.00 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 -0.30 -0.01 0.30 0.00 0.00 43 N 8.23 4.51 0.00 2.88 2.89 0.00 0.00 6.97 7.47 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 44 G 8.43 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 0.00 0.00 0.00 45 A 7.94 4.05 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.90 4.78 0.00 3.22 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 47 D 8.54 4.62 0.00 2.90 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 48 E 8.15 4.25 0.00 2.06 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 2.30 2.34 0.00 *50 E 8.19 4.19 0.00 2.25 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 2.17 2.45 0.00 51 R 8.33 3.85 0.00 1.77 2.12 0.00 3.26 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 52 R 8.03 4.04 0.00 2.01 1.95 0.00 3.29 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 53 L 7.87 3.86 0.00 1.59 1.57 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.05 4.07 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 55 L 7.44 3.96 0.00 1.48 1.49 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.06 4.05 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 0.18 0.00 0.00 0.48 0.00 0.00 57 G 7.85 3.75 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 0.00 0.00 0.00 58 L 7.77 4.52 0.00 1.44 1.36 0.03 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.60 4.63 4.12 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 1.12 0.00 0.00 60 L 8.17 3.82 0.00 1.28 1.01 -0.19 0.63 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 61 D 7.68 4.26 0.00 2.56 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 62 A 8.15 4.30 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 63 V 7.41 4.20 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 0.92 0.00 0.00 1.00 0.00 0.00 64 V 8.96 4.30 2.13 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 0.73 0.00 0.00 1.09 0.00 0.00 65 Q 7.58 5.54 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.36 2.21 0.00 *67 D 8.48 4.84 0.00 2.99 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 68 C 8.96 4.92 0.00 3.15 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 69 L 8.39 5.15 0.00 1.60 1.60 1.02 0.76 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 70 F 9.11 5.42 0.00 2.94 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.51 4.16 0.00 2.16 2.19 0.00 3.18 0.00 0.00 3.11 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.50 0.00 72 D 8.32 5.02 0.00 2.87 2.65 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 73 V 9.16 3.22 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 0.60 0.00 0.00 74 W 7.97 4.19 0.00 3.44 3.29 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 75 N 8.03 4.72 0.00 3.11 3.06 0.00 0.00 6.85 6.99 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 76 I 6.99 3.56 1.62 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 -0.16 0.85 0.00 0.00 77 P 0.00 4.45 0.00 2.18 2.11 0.00 3.66 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 2.16 2.15 0.00 78 V 7.34 3.62 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 0.75 0.00 0.00 0.97 0.00 0.00 *80 E 8.26 4.36 0.00 2.09 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 2.27 2.58 0.00 81 K 7.88 3.79 0.00 1.84 1.99 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.45 7.81 *83 I 7.88 4.34 1.94 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 1.17 0.62 0.52 0.00 0.00 84 K 8.00 4.23 0.00 1.79 1.95 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.61 7.81 85 E 8.11 4.19 0.00 2.02 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 2.39 2.59 0.00 86 R 8.08 4.46 0.00 1.74 1.74 0.00 3.32 0.00 0.00 3.43 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 87 F 8.69 4.18 0.00 3.48 3.33 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 88 N 8.38 4.37 0.00 2.89 3.25 0.00 0.00 6.18 7.00 0.00 0.00 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 G 8.12 3.57 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 0.00 0.00 0.00 90 R 7.31 4.12 0.00 1.79 1.79 0.00 3.06 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.41 0.00 91 Y 7.81 4.80 0.00 2.94 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 92 P 0.00 4.76 0.00 2.09 2.30 0.00 3.51 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.92 0.00 93 A 8.61 4.43 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 94 R 8.15 4.93 0.00 1.83 1.90 0.00 3.05 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 95 K 8.52 4.82 0.00 1.80 1.90 0.00 1.45 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.47 7.81 96 S 8.69 5.48 0.00 3.74 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 97 I 8.91 4.67 1.89 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 1.11 0.73 0.88 0.00 0.00 98 Q 8.68 4.92 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.62 0.00 99 T 8.49 4.60 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 0.71 0.00 0.00 100 E 8.54 4.05 0.00 1.90 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 2.24 2.23 0.00 101 F 8.13 4.97 0.00 3.02 2.82 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 0.00 102 A 8.39 4.44 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 0.00 103 H 7.72 5.01 0.00 3.09 3.10 0.00 5.93 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.55 4.33 0.00 3.22 3.37 0.00 5.50 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.71 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 0.00 106 G 8.78 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 0.00 107 P 0.00 4.44 0.00 2.08 2.05 0.00 3.86 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 2.05 2.14 0.00 108 Q 8.38 3.99 0.00 2.39 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 109 G 7.84 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.20 4.24 0.00 1.28 1.47 0.64 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 111 L 9.33 4.95 0.00 1.72 1.80 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 112 F 7.73 5.21 0.00 2.80 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 0.00 113 Q 8.11 4.58 0.00 1.78 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.52 0.00 0.00 0.00 0.00 0.00 1.90 1.52 0.00 114 V 8.24 4.84 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 0.95 0.00 0.00 1.18 0.00 0.00 115 D 8.60 5.10 0.00 2.95 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 0.00 116 G 7.79 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.64 5.00 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 0.84 0.00 0.00 0.89 0.00 0.00 118 A 9.37 5.38 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 0.00 119 Y 8.88 4.94 0.00 2.63 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 0.00 120 S 8.20 4.13 0.00 3.63 3.52 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 0.00 121 K 8.19 3.94 0.00 1.73 1.64 0.00 1.90 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.49 7.81 122 H 9.15 4.41 0.00 3.22 3.18 0.00 5.74 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 * Residues marked with a * may have inaccurate shift predictions.