NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4461 8.1927 115.4126 58.3751 65.5763 175.6191 3 Q 3.8153 7.9582 121.6445 57.3394 28.7566 176.5517 4 T 3.9637 8.0261 110.7801 64.4006 69.4090 175.9047 5 L 3.9005 7.8484 122.7484 57.7968 41.9706 178.6676 6 K 3.9159 7.8111 118.2457 59.7452 32.2343 178.4135 7 Q 4.1438 7.7237 116.5324 58.8703 28.6506 178.5238 8 L 4.1726 7.9762 119.2747 57.5343 41.7881 179.9359 9 A 4.1674 8.1003 119.0442 51.2668 19.0517 176.9418 *11 A 4.0550 7.5825 122.7696 53.1356 19.8255 178.0613 12 K 4.0874 8.4319 121.3628 56.5206 33.7907 177.7033 *14 A 3.0429 7.8972 122.9272 50.8120 19.0461 177.7457 15 G 3.8062 8.6993 104.7682 48.5356 0.0000 173.4403 16 F 4.6660 7.6492 116.9917 56.9150 39.8829 175.4388 17 R 4.1804 9.7325 123.0837 57.0400 30.7732 175.5733 18 H 5.4608 8.8805 119.9337 53.9221 32.2719 173.1156 19 K 4.6337 9.3859 122.2256 55.1196 35.8853 174.8559 20 T 5.0574 8.6040 123.5672 62.3966 69.7350 174.4423 21 V 4.5954 8.7010 119.1788 59.6528 36.0481 175.2518 22 V 4.8549 8.3604 115.8424 59.8897 34.2483 176.1684 23 V 4.0974 8.6944 123.0020 59.3575 32.5068 174.7335 24 P 4.3012 0.0000 0.0000 65.2852 31.4683 178.2186 25 E 4.0941 7.9786 116.5195 58.0828 30.3205 177.0807 26 W 4.9903 7.8972 119.0748 56.9339 28.7438 175.3204 27 E 3.9396 9.1813 110.5832 57.3512 27.2765 176.4025 28 G 3.9473 8.5524 102.9855 46.0128 0.0000 174.9879 29 V 3.8899 8.1253 119.9102 61.5181 32.6235 174.8552 30 K 4.9243 8.5445 123.5212 55.3603 33.6967 175.6862 31 V 4.6133 8.9666 126.0569 61.1760 35.7219 173.8483 32 V 4.8810 8.6640 126.1301 61.2352 33.7682 174.3209 33 L 5.4460 9.4299 128.4785 52.9914 44.6451 175.6173 34 R 5.4178 8.0653 117.7282 52.8677 32.9525 174.7337 35 E 4.1514 8.5295 119.2137 55.5260 30.1150 175.5592 36 P 4.1733 0.0000 0.0000 62.1936 32.3385 177.0948 37 S 4.3010 8.8845 116.7557 57.9393 65.1288 175.4706 38 G 4.0434 9.0172 110.0590 48.4706 0.0000 175.4567 39 E 4.0042 8.3194 120.5958 58.9840 29.6607 178.5466 40 A 3.9949 8.0796 120.7582 55.1505 18.5821 179.7149 41 W 4.3880 8.2609 117.3194 59.7504 28.8865 178.5967 42 L 4.1735 8.1125 120.5459 58.2503 41.6052 179.2343 43 R 4.1701 8.0965 117.7078 58.8051 29.8824 178.7869 44 W 4.1254 8.7072 128.6077 60.6247 30.7590 177.9196 45 Q 3.9360 8.5495 117.6151 59.1768 27.9630 178.8883 46 E 3.9640 7.7434 118.2992 59.2486 29.5420 179.4320 47 V 3.5849 7.3966 117.1204 65.9812 31.7589 177.5879 48 V 3.3713 7.1201 116.8700 65.5485 32.2073 177.5333 49 K 4.2018 7.5243 117.6347 55.8191 30.1722 177.1096 *64 H 4.6570 7.6393 114.4231 55.3093 31.1467 175.8331 65 R 4.0113 7.7668 120.7322 58.9342 30.0234 177.7510 66 N 4.2261 8.1358 115.9500 55.9640 38.4791 176.7975 67 L 4.1246 7.7601 119.5628 57.1561 41.6972 178.3384 68 C 3.8468 7.8891 116.3056 62.9413 27.8693 176.3167 69 A 3.8773 7.6135 121.9489 55.4378 17.9600 179.6022 70 D 4.5202 8.2523 117.1840 57.0351 40.8030 179.1256 71 V 3.1435 7.8842 119.9295 65.7880 31.3107 178.2752 72 V 3.6231 7.3846 117.9719 64.9162 31.0873 178.2013 73 L 3.7174 7.6859 119.6977 57.3983 41.4875 179.3406 74 F 4.1777 8.3994 120.7023 61.3892 39.1263 177.2312 75 I 3.7682 7.7964 118.5250 63.9222 36.9354 177.4573 76 D 4.3786 7.4682 118.6049 56.8275 41.2061 178.1342 77 V 3.8633 7.4903 112.7005 61.7895 31.7317 175.2008 78 L 4.5147 7.1838 121.7740 54.1527 42.8976 175.5398 79 C 5.3094 8.8494 123.4050 58.0492 32.9383 173.5780 80 D 5.0924 8.6840 121.2171 53.2418 42.2192 177.6653 81 T 4.0966 8.6288 113.7824 64.8755 66.9773 173.9082 82 D 4.5961 8.1064 119.5400 52.8250 39.6668 176.8373 83 K 4.4131 8.3537 117.4655 57.6311 30.3012 174.9278 84 Q 4.6583 7.4479 117.7401 52.9132 30.5917 173.6145 85 P 4.6160 0.0000 0.0000 63.2681 31.5313 176.8978 86 V 3.6082 8.7306 122.4279 63.5903 31.6797 176.4365 87 F 5.1176 7.8155 117.3287 55.4470 41.4879 174.8144 88 S 4.8846 9.2512 117.8928 56.3903 64.9313 175.7323 89 V 3.8744 8.4242 114.9502 64.7280 31.3480 177.5520 90 D 4.5032 8.1036 117.6480 56.2529 41.1144 177.0412 91 E 4.7199 8.5989 119.1723 56.1049 29.7936 177.2837 92 E 3.8218 8.0632 121.3324 59.6680 29.4641 178.3405 93 E 3.9483 8.0730 117.3084 59.4636 29.5716 178.4044 94 Q 4.1019 7.9432 117.6478 58.8136 29.0157 178.5572 95 V 3.3778 7.7723 119.3596 65.8185 31.2737 177.9702 96 R 3.8488 8.2340 117.6373 59.3349 29.9836 178.0594 97 E 4.2660 7.8012 115.4240 57.4705 30.1660 177.1052 98 I 4.2181 7.4398 110.6367 60.5152 39.1175 174.8788 99 Y 3.7304 7.9080 124.4201 57.5822 39.1924 174.8076 100 G 4.0259 7.8799 115.4523 42.8555 0.0000 170.0242 101 P 4.3782 0.0000 0.0000 64.9317 30.5373 178.6980 102 V 3.3627 7.5581 116.2846 66.3253 31.4472 177.6631 103 H 3.9606 7.6735 115.5589 58.7064 28.4604 177.7683 104 S 4.3417 7.3878 116.9868 60.5614 62.6848 176.6987 105 R 3.9680 8.3086 122.1632 58.7655 29.6541 178.8763 106 L 4.1254 7.4880 118.4379 57.3791 41.6594 178.9673 107 L 4.0417 8.2910 120.4227 57.9962 42.1800 178.6400 108 K 3.8350 8.3562 119.9002 60.0500 31.8259 178.6944 109 Q 4.0237 7.6034 115.1548 58.7971 28.7433 178.2223 110 A 4.1220 8.0965 122.0282 55.0570 18.5357 179.7039 111 L 4.0305 8.2829 117.7142 57.7764 41.4564 179.2641 112 D 4.4873 7.8685 117.7786 56.8169 40.7648 178.1490 113 L 4.2995 7.4162 118.3977 55.4532 41.7566 177.2538 114 I 3.9896 7.0749 120.5057 61.2065 37.3432 177.0913 115 N 4.6819 8.5340 125.8029 53.4877 36.2838 172.9654 116 N 4.4275 7.9258 119.0125 52.7109 40.2407 174.2447 117 A 4.2346 8.1563 127.8780 52.8075 19.8083 176.8355 118 D 4.8019 8.7947 119.4569 54.5164 41.8052 175.1138 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 2 S 8.19 4.45 0.00 4.02 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 0.00 3 Q 7.96 3.82 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 4 T 8.03 3.96 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 5 L 7.85 3.90 0.00 1.77 1.85 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 6 K 7.81 3.92 0.00 1.87 1.82 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.49 7.81 7 Q 7.72 4.14 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 8 L 7.98 4.17 0.00 1.80 1.72 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.10 4.17 1.34 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 0.00 0.00 0.00 *11 A 7.58 4.06 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.43 4.09 0.00 1.77 1.78 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.46 7.81 *14 A 7.90 3.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.70 3.81 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 0.00 0.00 0.00 16 F 7.65 4.67 0.00 3.03 2.84 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 0.00 0.00 0.00 17 R 9.73 4.18 0.00 1.98 1.88 0.00 3.19 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 18 H 8.88 5.46 0.00 2.99 3.20 0.00 5.84 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 9.39 4.63 0.00 1.73 1.58 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.41 7.81 20 T 8.60 5.06 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 1.27 0.00 0.00 21 V 8.70 4.60 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 0.75 0.00 0.00 0.91 0.00 0.00 22 V 8.36 4.85 2.30 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 0.73 0.00 0.00 0.92 0.00 0.00 23 V 8.69 4.10 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 0.79 0.00 0.00 -0.04 0.00 0.00 24 P 0.00 4.30 0.00 2.00 2.13 0.00 3.54 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00 25 E 7.98 4.09 0.00 1.55 2.02 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 2.21 2.32 0.00 26 W 7.90 4.99 0.00 3.35 2.93 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 27 E 9.18 3.94 0.00 2.12 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 2.28 2.36 0.00 28 G 8.55 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 29 V 8.13 3.89 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 1.12 0.00 0.00 1.00 0.00 0.00 30 K 8.54 4.92 0.00 1.81 1.76 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.44 7.81 31 V 8.97 4.61 2.24 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 0.95 0.00 0.00 1.16 0.00 0.00 32 V 8.66 4.88 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 0.97 0.00 0.00 1.00 0.00 0.00 33 L 9.43 5.45 0.00 1.55 1.50 1.00 -0.46 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 34 R 8.07 5.42 0.00 1.44 1.65 0.00 3.04 0.00 0.00 3.12 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.20 0.00 35 E 8.53 4.15 0.00 1.57 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 2.32 2.47 0.00 36 P 0.00 4.17 0.00 1.27 1.46 0.00 3.68 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.31 0.00 37 S 8.88 4.30 0.00 4.16 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 38 G 9.02 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 39 E 8.32 4.00 0.00 2.11 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 2.42 2.43 0.00 40 A 8.08 3.99 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.26 4.39 0.00 3.56 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 42 L 8.11 4.17 0.00 2.03 1.88 0.99 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.10 4.17 0.00 2.15 2.01 0.00 3.20 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 44 W 8.71 4.13 0.00 3.40 3.51 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 45 Q 8.55 3.94 0.00 2.57 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.72 3.01 0.00 46 E 7.74 3.96 0.00 2.10 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 2.37 2.63 0.00 47 V 7.40 3.58 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 0.74 0.00 0.00 0.95 0.00 0.00 48 V 7.12 3.37 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 -0.44 0.00 0.00 49 K 7.52 4.20 0.00 1.73 1.73 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.54 7.81 *64 H 7.64 4.66 0.00 3.24 3.37 0.00 5.80 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 7.77 4.01 0.00 1.84 1.85 0.00 3.14 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 66 N 8.14 4.23 0.00 2.77 2.90 0.00 0.00 7.15 6.74 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 67 L 7.76 4.12 0.00 1.73 1.66 0.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 68 C 7.89 3.85 0.00 3.08 2.93 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 69 A 7.61 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.25 4.52 0.00 2.80 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 71 V 7.88 3.14 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 0.12 0.00 0.00 72 V 7.38 3.62 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 1.02 0.00 0.00 0.99 0.00 0.00 73 L 7.69 3.72 0.00 1.77 1.48 -0.15 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.40 4.18 0.00 3.35 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 3.77 1.88 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 1.47 0.74 1.00 0.00 0.00 76 D 7.47 4.38 0.00 2.49 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 77 V 7.49 3.86 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 0.85 0.00 0.00 0.85 0.00 0.00 78 L 7.18 4.51 0.00 1.21 1.13 1.17 1.24 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 79 C 8.85 5.31 0.00 3.10 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 80 D 8.68 5.09 0.00 2.87 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.63 4.10 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 1.21 0.00 0.00 82 D 8.11 4.60 0.00 2.85 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 83 K 8.35 4.41 0.00 1.83 1.87 0.00 1.58 0.00 0.00 1.43 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.33 7.81 84 Q 7.45 4.66 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.92 0.00 0.00 0.00 0.00 0.00 2.52 2.40 0.00 85 P 0.00 4.62 0.00 2.35 2.05 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 86 V 8.73 3.61 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 0.68 0.00 0.00 -0.08 0.00 0.00 87 F 7.82 5.12 0.00 3.08 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 88 S 9.25 4.88 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.42 3.87 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 0.74 0.00 0.00 0.95 0.00 0.00 90 D 8.10 4.50 0.00 2.67 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 91 E 8.60 4.72 0.00 2.15 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 2.32 2.37 0.00 92 E 8.06 3.82 0.00 2.22 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 2.32 2.34 0.00 93 E 8.07 3.95 0.00 1.97 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 2.27 2.38 0.00 94 Q 7.94 4.10 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 95 V 7.77 3.38 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 0.86 0.00 0.00 0.16 0.00 0.00 96 R 8.23 3.85 0.00 1.87 1.97 0.00 3.13 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 97 E 7.80 4.27 0.00 2.12 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 2.52 2.36 0.00 98 I 7.44 4.22 1.89 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 1.28 0.69 0.91 0.00 0.00 99 Y 7.91 3.73 0.00 3.06 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 0.00 100 G 7.88 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 0.00 0.00 0.00 101 P 0.00 4.38 0.00 2.08 2.07 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 102 V 7.56 3.36 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 0.40 0.00 0.00 0.81 0.00 0.00 103 H 7.67 3.96 0.00 1.87 1.86 0.00 5.86 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 S 7.39 4.34 0.00 4.13 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 0.00 105 R 8.31 3.97 0.00 1.92 1.94 0.00 3.05 0.00 0.00 3.11 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 106 L 7.49 4.13 0.00 2.15 1.87 0.74 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.29 4.04 0.00 2.11 1.98 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.36 3.83 0.00 1.93 1.98 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.66 7.81 109 Q 7.60 4.02 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 110 A 8.10 4.12 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 0.00 111 L 8.28 4.03 0.00 1.85 1.78 0.93 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 112 D 7.87 4.49 0.00 2.88 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 0.00 113 L 7.42 4.30 0.00 1.67 1.73 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.07 3.99 2.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.62 0.95 0.00 0.00 115 N 8.53 4.68 0.00 2.69 2.79 0.00 0.00 7.18 7.79 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 0.00 116 N 7.93 4.43 0.00 2.71 2.70 0.00 0.00 7.26 7.96 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 0.00 117 A 8.16 4.23 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 0.00 118 D 8.79 4.80 0.00 2.67 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 * Residues marked with a * may have inaccurate shift predictions.