NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4266 0.0000 0.0000 62.8113 32.7822 175.2214 2 S 4.4297 8.5085 111.8633 56.9528 64.4203 172.3342 3 S 4.8065 7.9543 113.4147 56.4165 67.1137 173.7105 4 N 4.9505 8.3391 116.5768 52.7581 38.4845 173.3203 5 G 4.0243 7.6328 108.2519 43.7137 0.0000 172.4871 6 P 4.1808 0.0000 0.0000 65.2785 31.4138 177.6184 7 L 4.3466 7.7243 116.2583 54.3424 41.6317 175.7345 8 E 3.8588 7.6660 120.0868 57.6020 29.7357 176.8165 9 G 4.0640 8.6598 114.6081 47.1452 0.0000 173.3736 10 T 4.5596 7.3203 106.6825 60.9247 69.2405 176.4783 11 R 3.8645 8.1899 124.5037 59.5463 30.6451 177.1436 12 G 3.8732 7.8328 106.6676 47.1960 0.0000 175.8986 13 K 3.9763 8.0090 119.8499 58.4514 32.5720 177.2162 14 L 4.6914 7.3439 118.8154 54.1644 42.1380 175.9969 15 K 4.5584 7.7286 118.5915 54.4990 34.9103 175.5555 16 N 4.6777 8.5770 122.9983 52.6735 39.6826 174.9119 17 K 4.3062 8.4648 119.7754 55.4916 33.5976 176.7872 18 P 4.1727 0.0000 0.0000 66.0746 31.4262 177.8913 19 R 4.5270 7.8192 114.4171 56.6142 29.8220 176.7052 20 D 4.7178 8.4668 114.2354 54.0291 43.4809 175.7470 21 R 3.9527 7.7087 119.8037 56.9771 30.6023 176.4980 22 G 4.0444 8.0840 109.6789 44.7744 0.0000 173.0958 23 T 3.8521 7.8418 114.8574 63.1816 69.3268 173.7075 24 S 4.8374 8.1604 119.7154 55.8384 64.5978 172.5977 25 P 4.3569 0.0000 0.0000 62.4477 31.8047 176.1574 26 P 4.4140 0.0000 0.0000 64.9251 31.2237 178.2831 27 Q 3.9402 7.5297 119.8660 59.6618 28.6918 178.9657 28 R 4.1172 7.8903 114.8910 58.5295 29.8806 177.8527 29 A 4.2667 7.9073 120.5726 54.3069 18.5826 178.5957 30 V 4.0728 7.7611 115.5820 63.7599 32.3234 175.7415 31 E 3.5330 7.3727 117.6865 54.8196 29.6928 175.9344 32 E 4.8331 8.4397 126.1935 55.2582 31.0218 175.5163 33 F 4.9124 9.7484 121.5498 55.7284 42.3506 174.6085 34 D 4.9632 9.3776 123.6964 52.6516 42.2983 176.2849 35 D 4.7285 8.5017 121.9734 56.1100 41.3485 176.7982 36 G 4.1124 9.7285 112.2638 45.5289 0.0000 174.1848 37 E 4.1382 8.0730 119.0686 56.6824 31.0494 176.3472 38 K 4.8293 8.5716 121.9387 55.2480 34.1257 175.9650 39 V 4.8900 8.1864 117.5610 59.9435 35.9109 174.3569 40 H 5.1872 9.5060 120.7276 54.4363 31.2968 173.9410 41 L 5.1431 8.5138 122.3119 53.0196 44.0373 175.7957 42 K 5.0234 8.9299 123.7081 55.6933 35.9830 174.8863 43 I 3.7271 8.6538 129.9098 61.2383 37.7119 175.3876 44 D 4.6422 8.9041 124.6809 52.5164 41.0296 174.7635 45 P 4.3224 0.0000 0.0000 65.9143 31.4402 178.2303 46 S 4.1671 8.3775 112.7957 60.1162 62.9418 174.1528 47 V 4.1191 7.8558 121.1448 60.4811 30.9341 173.2859 48 P 4.2361 0.0000 0.0000 65.2580 31.1192 177.8577 49 N 4.6031 7.8717 114.4941 53.3305 40.0019 175.4267 50 G 3.8461 8.5433 103.8976 46.8937 0.0000 174.1438 51 R 4.2393 7.1600 115.3701 54.5211 31.3824 175.1153 52 F 5.0126 6.9656 113.7768 54.7157 40.7974 174.1578 53 H 4.2098 9.2791 120.1347 55.8633 30.0293 174.2008 54 P 4.1984 0.0000 0.0000 65.7213 31.4101 178.0654 55 R 3.9542 7.9832 116.7050 58.2923 30.2476 176.5729 56 F 5.0582 8.5061 115.8216 57.5155 39.3558 175.2167 57 D 5.0240 8.0225 122.1725 55.5777 40.9917 175.5713 58 G 4.2039 9.1103 113.0537 46.2315 0.0000 174.5334 59 Q 4.2003 7.9656 118.1097 56.8938 29.4322 176.2873 60 T 5.1652 7.2327 114.5600 61.4689 69.9665 174.9709 61 G 4.4016 7.4738 112.3102 45.3832 0.0000 169.4751 62 T 4.9539 8.1635 117.2476 61.3229 72.0273 173.9157 63 V 3.9484 8.4972 127.5997 63.0656 32.3673 175.9581 64 E 4.7976 9.0191 127.6743 54.7782 29.1083 174.8052 65 G 3.9893 9.0592 107.2999 44.9183 0.0000 170.8179 66 K 4.8776 7.9180 116.5331 54.9462 35.3727 175.6553 67 Q 4.2424 8.4568 119.5115 54.7086 30.8327 175.0504 68 G 4.2701 8.5970 117.2789 45.8841 0.0000 172.4910 69 D 4.2630 8.7047 118.1025 56.9388 41.4308 176.7354 70 A 4.2913 7.5489 119.9633 52.1886 19.7677 176.1233 71 Y 4.8610 9.1198 117.2522 56.3392 41.1565 175.3300 72 K 4.8611 9.2192 122.6638 55.0915 34.0682 175.4057 73 V 4.6992 8.7609 126.2408 61.1446 33.9640 174.4099 74 D 5.2927 8.6407 127.3653 53.7254 43.0556 175.6067 75 I 4.6523 8.2051 113.9304 60.2380 41.6975 173.5580 76 V 4.5284 7.9547 121.0846 61.1184 33.5245 174.7831 77 D 4.5498 9.3193 125.1875 53.9017 42.3462 176.6668 *78 G 3.9185 8.2556 109.0766 45.4984 0.0000 173.5688 79 G 4.0168 8.4507 108.8341 44.9810 0.0000 173.2713 80 K 4.5395 8.4105 122.5751 54.2408 33.9336 175.6410 81 E 4.6681 8.7455 127.0543 56.5914 30.4092 176.2901 82 K 4.6456 8.9207 121.3858 55.2946 37.3375 175.0861 83 T 4.8171 8.3992 119.1397 62.0302 70.4770 173.7503 84 I 4.3529 8.8755 128.3065 59.5903 39.6238 175.0452 85 I 4.8321 8.4789 128.5303 60.3437 37.4874 175.4887 86 V 4.8423 8.9165 127.2270 60.0361 35.0388 175.1583 87 T 4.7522 8.6114 112.6374 60.7545 70.6732 175.3666 88 A 4.0008 9.4607 125.8417 56.1702 18.6143 180.0391 89 A 3.9868 8.0815 116.6217 55.9677 18.7044 178.3511 90 H 5.0328 8.0022 110.8117 55.3738 28.6629 174.7364 91 L 5.3993 8.3566 119.1156 53.2922 45.2528 176.0984 92 R 4.9211 8.3896 117.6694 54.9237 34.8887 175.1676 93 R 4.5094 8.7623 121.1125 56.1606 31.1639 175.9184 94 Q 4.2629 8.6387 123.8927 56.4359 30.2106 175.7082 95 E 4.1442 8.8539 123.7206 56.9707 29.2784 174.2872 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 P 0.00 4.43 0.00 2.23 2.23 0.00 3.61 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 1.92 2.11 0.00 2 S 8.51 4.43 0.00 4.03 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 3 S 7.95 4.81 0.00 3.93 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 4 N 8.34 4.95 0.00 2.61 2.73 0.00 0.00 6.92 7.98 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 5 G 7.63 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 0.00 0.00 0.00 6 P 0.00 4.18 0.00 1.96 1.97 0.00 3.63 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 7 L 7.72 4.35 0.00 1.66 1.62 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 8 E 7.67 3.86 0.00 2.06 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 2.31 2.60 0.00 9 G 8.66 4.06 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 0.00 0.00 0.00 10 T 7.32 4.56 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 1.24 0.00 0.00 11 R 8.19 3.86 0.00 1.78 1.99 0.00 3.21 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 12 G 7.83 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.01 3.98 0.00 2.02 1.98 0.00 1.53 0.00 0.00 1.86 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.45 7.81 14 L 7.34 4.69 0.00 1.75 1.65 0.83 0.62 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 15 K 7.73 4.56 0.00 1.68 1.77 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.22 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.36 7.81 16 N 8.58 4.68 0.00 2.75 2.73 0.00 0.00 7.10 7.61 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 17 K 8.46 4.31 0.00 1.97 1.72 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.52 7.81 18 P 0.00 4.17 0.00 2.18 2.11 0.00 3.59 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 2.12 2.16 0.00 19 R 7.82 4.53 0.00 1.80 1.94 0.00 3.16 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 20 D 8.47 4.72 0.00 2.69 2.60 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 0.00 0.00 0.00 21 R 7.71 3.95 0.00 2.07 1.84 0.00 3.35 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 22 G 8.08 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 0.00 0.00 0.00 23 T 7.84 3.85 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 24 S 8.16 4.84 0.00 3.84 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 25 P 0.00 4.36 0.00 2.18 1.99 0.00 3.61 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 2.12 2.12 0.00 26 P 0.00 4.41 0.00 2.16 2.11 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 27 Q 7.53 3.94 0.00 2.36 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 28 R 7.89 4.12 0.00 2.07 2.09 0.00 3.12 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.72 0.00 29 A 7.91 4.27 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 30 V 7.76 4.07 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 0.99 0.00 0.00 31 E 7.37 3.53 0.00 1.99 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 0.00 2.04 1.57 0.00 32 E 8.44 4.83 0.00 1.97 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 0.00 2.29 2.29 0.00 33 F 9.75 4.91 0.00 2.19 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 34 D 9.38 4.96 0.00 2.68 2.61 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 0.00 0.00 0.00 35 D 8.50 4.73 0.00 2.68 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 36 G 9.73 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 37 E 8.07 4.14 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 2.36 2.48 0.00 38 K 8.57 4.83 0.00 1.63 1.77 0.00 1.56 0.00 0.00 1.92 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.36 7.81 39 V 8.19 4.89 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 0.52 0.00 0.00 0.66 0.00 0.00 40 H 9.51 5.19 0.00 3.07 3.19 0.00 5.77 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 41 L 8.51 5.14 0.00 1.40 1.06 0.71 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.93 5.02 0.00 1.97 1.71 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.51 7.81 43 I 8.65 3.73 1.68 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 -0.10 0.71 0.00 0.00 44 D 8.90 4.64 0.00 2.69 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 45 P 0.00 4.32 0.00 2.27 2.27 0.00 3.74 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 46 S 8.38 4.17 0.00 3.99 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 0.00 47 V 7.86 4.12 2.26 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 0.84 0.00 0.00 1.01 0.00 0.00 48 P 0.00 4.24 0.00 2.09 1.98 0.00 3.74 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 2.03 2.11 0.00 49 N 7.87 4.60 0.00 2.78 2.77 0.00 0.00 6.77 7.95 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 50 G 8.54 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 51 R 7.16 4.24 0.00 1.63 1.44 0.00 3.11 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.67 0.00 52 F 6.97 5.01 0.00 3.31 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 53 H 9.28 4.21 0.00 3.23 2.86 0.00 5.71 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.20 0.00 2.08 2.00 0.00 3.19 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 2.06 1.95 0.00 55 R 7.98 3.95 0.00 1.61 1.28 0.00 2.94 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 56 F 8.51 5.06 0.00 3.17 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 57 D 8.02 5.02 0.00 2.95 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 58 G 9.11 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 59 Q 7.97 4.20 0.00 2.15 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 60 T 7.23 5.17 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 1.03 0.00 0.00 61 G 7.47 4.40 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 0.00 62 T 8.16 4.95 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 1.29 0.00 0.00 63 V 8.50 3.95 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 1.05 0.00 0.00 0.65 0.00 0.00 64 E 9.02 4.80 0.00 1.81 1.82 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 2.39 2.71 0.00 65 G 9.06 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 66 K 7.92 4.88 0.00 1.85 1.47 0.00 1.37 0.00 0.00 1.53 0.00 0.00 2.13 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.22 1.30 7.81 67 Q 8.46 4.24 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.77 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 68 G 8.60 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 0.00 0.00 0.00 0.00 69 D 8.70 4.26 0.00 2.66 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 70 A 7.55 4.29 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 71 Y 9.12 4.86 0.00 3.03 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 72 K 9.22 4.86 0.00 1.74 1.73 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.49 7.81 73 V 8.76 4.70 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 0.81 0.00 0.00 0.78 0.00 0.00 74 D 8.64 5.29 0.00 2.59 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 75 I 8.21 4.65 1.87 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.60 0.68 0.00 0.00 76 V 7.95 4.53 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 0.82 0.00 0.00 0.89 0.00 0.00 77 D 9.32 4.55 0.00 2.71 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 *78 G 8.26 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 0.00 0.00 0.00 79 G 8.45 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 0.00 0.00 0.00 80 K 8.41 4.54 0.00 1.79 1.68 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.39 7.81 81 E 8.75 4.67 0.00 1.86 1.82 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 2.28 2.32 0.00 82 K 8.92 4.65 0.00 1.40 1.49 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.55 7.81 83 T 8.40 4.82 4.21 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 1.18 0.00 0.00 84 I 8.88 4.35 1.67 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.37 0.87 0.00 0.00 85 I 8.48 4.83 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.80 0.95 0.00 0.00 86 V 8.92 4.84 2.27 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 0.94 0.00 0.00 1.27 0.00 0.00 87 T 8.61 4.75 4.35 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 1.29 0.00 0.00 88 A 9.46 4.00 1.74 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 0.00 0.00 89 A 8.08 3.99 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 90 H 8.00 5.03 0.00 3.40 3.56 0.00 5.57 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 91 L 8.36 5.40 0.00 1.24 1.04 0.39 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 92 R 8.39 4.92 0.00 1.82 1.84 0.00 3.36 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 93 R 8.76 4.51 0.00 1.76 1.91 0.00 3.13 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.69 0.00 94 Q 8.64 4.26 0.00 1.86 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 5.85 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 95 E 8.85 4.14 0.00 2.17 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 2.20 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.