NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7772 8.3549 109.7361 45.2640 0.0000 172.8650 *2 L 4.1734 7.8487 118.6995 53.3281 42.5903 176.3296 3 P 4.1985 0.0000 0.0000 66.7669 31.0358 178.8803 4 D 4.4619 7.9844 116.0594 55.3879 40.1525 179.9651 5 D 4.6224 8.2935 116.4558 55.7226 41.2093 175.9518 6 V 4.2184 7.3230 119.8552 62.8376 32.7861 175.5088 7 N 4.1333 8.3159 123.9284 53.3270 36.4424 175.5446 8 Q 4.1002 7.5501 116.9736 55.2994 30.9421 176.3220 9 A 3.9363 8.7340 127.3152 55.7565 18.3484 179.5986 10 D 4.3049 8.0422 116.3379 57.5237 40.9951 179.1422 11 V 3.7174 7.7193 118.1743 66.0356 31.6458 177.7072 12 L 3.7317 7.9163 119.8956 57.8433 41.9919 178.7364 13 A 3.9241 8.0130 120.8996 55.0405 18.2949 179.4174 14 D 4.1898 7.8235 116.9284 57.5961 41.0490 179.1203 15 V 2.3104 6.9801 118.5199 65.7369 31.2560 178.1368 16 T 3.5622 7.6363 115.2080 66.5089 68.3583 176.4732 17 A 4.0809 7.7882 122.0105 55.0221 18.3976 179.5488 18 A 3.8915 7.7866 119.3031 55.0796 18.4056 179.4252 19 F 4.0027 7.9843 119.4397 61.8949 39.4119 177.0077 20 Y 4.2214 8.0231 115.4881 60.2382 37.6101 178.1905 21 R 3.9538 7.9521 120.3459 59.4263 30.2170 177.6586 22 Y 4.0177 8.2183 119.3853 60.7261 38.9281 177.4769 23 E 3.7939 8.1708 120.1770 59.2890 29.6245 178.7964 24 K 3.8744 8.1230 119.1100 59.5540 32.3163 178.6528 25 A 3.9180 7.9718 121.1006 54.9539 18.0138 179.4069 26 L 3.7046 8.1996 119.5205 58.2861 41.9310 179.1529 27 T 4.1723 7.7019 108.4392 63.5371 69.0927 176.0691 28 G 3.7789 7.7688 106.1198 43.1599 0.0000 172.5598 29 N 4.0047 7.2898 116.8639 54.6719 37.7982 176.3145 30 D 4.5969 8.0474 119.2236 52.7082 39.7251 175.0179 31 V 3.5767 7.8611 123.5137 65.3933 31.8372 176.8207 32 A 3.9713 7.9037 120.0206 55.1513 18.2147 179.6814 33 V 3.6161 7.8475 116.2109 66.0179 31.5488 177.7555 34 L 4.0070 8.0429 118.1446 58.1734 41.2998 178.9240 35 D 4.4977 8.4101 117.7648 57.2045 40.9874 177.5758 36 E 4.0513 8.0717 118.7494 59.6730 29.8670 178.7333 37 L 4.3647 8.6055 118.3690 56.2026 41.8564 176.8966 38 F 4.6350 7.4267 116.7968 56.0809 40.1721 175.6194 39 W 4.4072 8.7387 133.1294 58.0789 31.1615 176.0613 40 H 4.5069 9.0552 127.9531 55.1015 28.5327 173.1013 41 D 4.2644 7.6230 120.5186 52.3686 44.5600 175.7491 42 E 3.9211 8.4613 120.5909 59.0868 29.8722 179.0623 43 K 4.1492 8.1367 117.9464 58.2938 32.5700 177.5049 44 T 4.4649 7.4389 116.3342 63.2729 69.7932 173.3083 45 V 4.5385 8.3268 124.0279 61.0065 35.2394 173.8301 46 R 4.8295 8.6993 127.8613 54.8057 32.9995 173.4018 47 Y 5.0685 8.8200 125.4885 56.7027 39.3676 175.6770 48 G 4.3730 9.0913 111.9455 43.1084 0.0000 173.6174 49 A 4.1971 8.9690 122.3769 54.9617 18.0956 179.0701 50 G 4.2794 7.6011 101.0939 44.5591 0.0000 171.8843 51 E 4.5896 7.9040 115.4394 54.8013 32.3800 173.8594 52 N 5.1723 8.5909 117.8396 51.8426 40.6178 173.5681 53 L 4.6936 8.8574 125.1521 53.0544 44.0734 175.4758 54 Y 4.7272 9.4194 122.7040 59.7683 39.5422 176.3006 55 G 4.1136 9.5097 112.4485 45.7157 0.0000 173.5658 56 I 3.6813 8.0638 119.8991 63.4493 37.8165 178.3642 57 E 3.8635 7.9675 120.0464 59.3154 29.7812 178.3398 58 E 3.9955 8.1294 118.1282 59.5759 29.6818 179.3186 59 I 3.7261 7.7450 119.7934 64.3526 37.0217 178.7516 60 R 3.8960 8.2494 118.8701 59.0570 29.8843 178.7915 61 A 3.9810 7.9806 120.6336 55.2400 18.5028 179.3815 62 F 4.1001 8.1344 118.6322 61.5946 39.2094 177.5444 63 R 3.5839 7.5789 116.2421 59.0820 29.9047 178.6498 64 L 4.0933 7.4985 117.0836 56.8921 41.8464 178.5714 65 A 4.1264 7.6707 119.3387 52.6264 19.0227 177.7619 66 R 3.7709 6.8059 117.8223 55.0369 30.6741 174.5564 67 P 4.2998 0.0000 0.0000 62.8853 31.7186 176.6583 68 S 4.2836 8.5309 116.3933 59.0889 63.8558 174.1464 69 A 4.1549 7.7710 124.7496 52.7687 18.1339 177.3990 70 G 3.9589 8.8801 109.3108 45.9940 0.0000 175.5248 71 L 4.0738 7.7860 120.1908 56.8009 41.8990 177.3614 72 D 4.4638 7.2013 118.7774 54.3908 41.5957 174.9089 73 R 4.9091 8.1218 119.8981 55.3800 33.0620 173.3547 74 A 4.8768 8.8618 121.0393 50.2447 21.3843 176.1379 75 L 5.1355 8.5995 121.7929 54.2139 43.8827 176.0726 76 R 4.5577 9.0573 119.7868 55.9095 34.0165 174.5363 77 N 4.3380 8.7390 121.4254 54.6111 36.3018 174.7633 78 T 4.4169 7.8358 113.2402 63.3715 69.9421 175.5873 79 V 4.3138 9.0295 126.3777 61.0057 34.5911 174.0588 80 I 4.7722 8.2637 128.0136 59.7663 39.6942 174.9658 81 T 4.6856 8.6829 123.9351 61.7319 71.7154 173.2945 82 T 4.6598 8.6719 116.3731 60.0894 71.7657 173.2208 83 Y 4.5546 8.1816 120.3469 56.8789 40.6920 175.4034 84 G 3.9000 9.1279 116.8692 46.7694 0.0000 173.1342 85 H 4.8715 8.7326 117.2141 55.7341 30.1624 175.2271 86 D 4.3232 7.5324 120.0880 52.0760 39.3439 173.8121 *88 A 4.6875 7.4612 121.9121 52.5896 21.3656 176.9750 89 V 4.9321 8.8621 118.4950 61.1171 34.7494 174.0726 90 A 5.0613 9.2057 130.1634 50.2818 20.9679 175.7687 91 S 5.0221 9.0970 118.4770 57.3170 67.2793 173.1799 92 T 4.8387 9.0577 116.4109 61.4227 71.3606 172.2075 93 E 5.2160 9.2157 125.9503 55.2771 32.6853 174.7251 94 F 5.5688 8.3837 114.9927 56.4842 41.7890 173.0935 95 T 5.0819 8.9915 108.8375 60.3204 72.3938 172.7907 96 R 5.0266 8.3956 119.9570 54.6441 33.9752 176.5524 97 T 3.9112 9.0946 118.9563 67.1185 68.7394 176.0549 98 G 3.6621 8.1339 107.9861 48.4600 0.0000 174.2012 99 S 4.3893 7.2958 113.8711 58.1154 62.9507 173.5660 100 T 4.3787 8.3220 121.6661 64.5729 69.8806 176.4086 101 K 4.2347 7.9369 122.3360 54.2418 32.1789 180.8590 102 I 4.2887 8.1029 121.1087 60.0025 38.9885 175.4355 103 G 2.9737 8.4211 114.8738 44.8685 0.0000 172.7045 104 R 5.1379 8.6462 119.8243 54.3182 34.5593 174.3127 105 Q 5.2950 9.1802 123.3578 53.2753 33.6414 173.3921 *107 Q 4.3647 8.3647 117.5774 56.0394 30.7008 174.7041 108 T 4.9721 8.4506 120.0689 61.8509 70.5977 173.3376 109 W 5.3008 9.2681 127.4505 54.9694 31.2451 175.9275 110 V 4.7596 9.0169 124.1930 60.9901 33.9251 174.8479 111 K 3.5842 7.9467 128.7058 55.2077 32.5262 174.6762 *113 P 4.4427 0.0000 0.0000 62.4643 33.0781 178.1797 114 E 4.0164 8.0313 114.1645 57.5817 29.9197 176.3094 115 G 4.1724 8.0099 104.8382 42.4741 0.0000 172.7031 116 W 4.4900 8.4031 120.4402 57.2955 29.5597 176.1931 117 R 4.9841 9.4322 121.4383 54.4602 34.4285 174.4707 118 I 3.4649 7.9046 124.9101 61.1871 36.8186 177.0039 119 V 4.1739 8.4126 120.8998 62.5341 33.2559 176.1054 120 A 4.9022 7.2756 120.7337 50.7028 22.5432 175.0733 121 A 4.8372 8.9998 123.2988 50.4316 23.1014 174.5577 122 H 5.3429 8.8188 119.8570 54.5526 33.1521 172.0855 123 V 5.0473 9.2622 126.8624 61.4818 34.2110 174.4593 124 S 4.7126 8.8616 119.3523 57.1259 66.5737 176.3185 125 L 5.0321 8.7196 120.1816 53.9179 40.4023 177.0941 *127 S 4.2243 8.7148 123.0862 59.5580 63.2264 173.4000 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 0 G 8.35 3.78 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 0.00 0.00 0.00 *2 L 7.85 4.17 0.00 1.76 1.66 0.93 0.91 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 3 P 0.00 4.20 0.00 2.22 2.34 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 4 D 7.98 4.46 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 4.62 0.00 2.86 2.77 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 6 V 7.32 4.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 1.02 0.00 0.00 7 N 8.32 4.13 0.00 2.79 2.74 0.00 0.00 6.99 7.24 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 8 Q 7.55 4.10 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.45 1.99 0.00 9 A 8.73 3.94 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 10 D 8.04 4.30 0.00 2.80 2.77 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 11 V 7.72 3.72 2.21 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 1.29 0.00 0.00 1.06 0.00 0.00 12 L 7.92 3.73 0.00 1.78 1.70 0.75 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.01 3.92 1.35 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 0.00 0.00 0.00 14 D 7.82 4.19 0.00 2.90 2.87 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 15 V 6.98 2.31 1.35 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 -0.15 0.00 0.00 -0.94 0.00 0.00 16 T 7.64 3.56 4.18 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 1.31 0.00 0.00 17 A 7.79 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.79 3.89 0.91 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 0.00 0.00 19 F 7.98 4.00 0.00 2.60 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 20 Y 8.02 4.22 0.00 3.15 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 21 R 7.95 3.95 0.00 2.09 2.22 0.00 3.18 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 22 Y 8.22 4.02 0.00 3.46 3.20 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 23 E 8.17 3.79 0.00 1.79 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 0.00 2.43 2.41 0.00 24 K 8.12 3.87 0.00 1.90 2.02 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.45 7.81 25 A 7.97 3.92 1.25 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 0.00 0.00 0.00 26 L 8.20 3.70 0.00 1.31 1.59 0.81 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.70 4.17 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 1.22 0.00 0.00 28 G 7.77 3.78 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 0.00 0.00 0.00 29 N 7.29 4.00 0.00 2.80 2.78 0.00 0.00 7.02 8.35 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 30 D 8.05 4.60 0.00 2.65 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 31 V 7.86 3.58 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 1.02 0.00 0.00 0.85 0.00 0.00 32 A 7.90 3.97 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 33 V 7.85 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 1.24 0.00 0.00 1.10 0.00 0.00 34 L 8.04 4.01 0.00 1.74 1.70 0.79 0.47 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 35 D 8.41 4.50 0.00 2.88 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 36 E 8.07 4.05 0.00 2.10 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 0.00 2.47 2.48 0.00 37 L 8.61 4.36 0.00 2.11 1.97 1.34 1.50 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 38 F 7.43 4.63 0.00 2.92 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 39 W 8.74 4.41 0.00 3.19 3.14 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 0.00 0.00 0.00 0.00 40 H 9.06 4.51 0.00 3.22 3.22 0.00 6.02 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.62 4.26 0.00 1.58 1.54 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 0.00 0.00 0.00 0.00 42 E 8.46 3.92 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 2.25 2.21 0.00 43 K 8.14 4.15 0.00 1.83 2.03 0.00 1.91 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.45 7.81 44 T 7.44 4.46 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 1.47 0.00 0.00 45 V 8.33 4.54 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 0.12 0.00 0.00 0.99 0.00 0.00 46 R 8.70 4.83 0.00 1.93 1.55 0.00 2.96 0.00 0.00 2.88 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.59 0.00 47 Y 8.82 5.07 0.00 2.66 2.50 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 48 G 9.09 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.97 4.20 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 50 G 7.60 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 0.00 0.00 0.00 0.00 51 E 7.90 4.59 0.00 2.04 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 1.80 2.14 0.00 52 N 8.59 5.17 0.00 2.67 2.89 0.00 0.00 6.85 7.85 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 53 L 8.86 4.69 0.00 1.41 1.44 0.37 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 9.42 4.73 0.00 2.83 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 55 G 9.51 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 56 I 8.06 3.68 1.70 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.36 0.57 0.00 0.00 57 E 7.97 3.86 0.00 2.03 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 2.36 2.38 0.00 58 E 8.13 4.00 0.00 2.19 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 2.43 2.43 0.00 59 I 7.75 3.73 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.26 0.52 0.00 0.00 60 R 8.25 3.90 0.00 2.01 1.96 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 61 A 7.98 3.98 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 62 F 8.13 4.10 0.00 3.16 3.24 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 63 R 7.58 3.58 0.00 1.92 1.86 0.00 3.29 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.75 0.00 64 L 7.50 4.09 0.00 1.54 1.67 0.89 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.67 4.13 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 66 R 6.81 3.77 0.00 1.17 1.47 0.00 2.86 0.00 0.00 3.05 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.34 0.00 67 P 0.00 4.30 0.00 2.05 1.95 0.00 3.65 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 2.01 2.05 0.00 68 S 8.53 4.28 0.00 3.93 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 69 A 7.77 4.15 1.25 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 0.00 0.00 0.00 70 G 8.88 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 0.00 0.00 0.00 71 L 7.79 4.07 0.00 1.61 1.69 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 72 D 7.20 4.46 0.00 2.78 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 73 R 8.12 4.91 0.00 2.04 1.85 0.00 2.25 0.00 0.00 2.84 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.59 0.00 74 A 8.86 4.88 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 75 L 8.60 5.14 0.00 1.73 1.80 1.23 1.07 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 76 R 9.06 4.56 0.00 1.93 1.77 0.00 3.26 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 77 N 8.74 4.34 0.00 2.89 2.85 0.00 0.00 7.04 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 78 T 7.84 4.42 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 0.96 0.00 0.00 79 V 9.03 4.31 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 0.85 0.00 0.00 0.90 0.00 0.00 80 I 8.26 4.77 1.59 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.34 0.53 0.00 0.00 81 T 8.68 4.69 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 0.74 0.00 0.00 82 T 8.67 4.66 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 0.96 0.00 0.00 83 Y 8.18 4.55 0.00 2.93 2.87 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 84 G 9.13 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 85 H 8.73 4.87 0.00 3.31 3.45 0.00 5.50 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 7.53 4.32 0.00 2.67 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 *88 A 7.46 4.69 1.08 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 0.00 0.00 0.00 89 V 8.86 4.93 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 1.01 0.00 0.00 1.05 0.00 0.00 90 A 9.21 5.06 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 91 S 9.10 5.02 0.00 3.68 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 92 T 9.06 4.84 4.41 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 1.58 0.00 0.00 93 E 9.22 5.22 0.00 2.08 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 2.21 2.24 0.00 94 F 8.38 5.57 0.00 3.28 3.18 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 95 T 8.99 5.08 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 1.22 0.00 0.00 96 R 8.40 5.03 0.00 1.83 1.88 0.00 3.26 0.00 0.00 3.46 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.83 0.00 97 T 9.09 3.91 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 1.23 0.00 0.00 98 G 8.13 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 99 S 7.30 4.39 0.00 3.95 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 0.00 100 T 8.32 4.38 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 0.00 101 K 7.94 4.23 0.00 1.78 1.59 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.39 1.28 7.81 102 I 8.10 4.29 1.78 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 1.23 1.25 0.80 0.00 0.00 103 G 8.42 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.65 5.14 0.00 1.73 1.78 0.00 3.04 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 105 Q 9.18 5.29 0.00 2.38 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 *107 Q 8.36 4.36 0.00 2.24 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.64 0.00 0.00 0.00 0.00 0.00 2.14 2.45 0.00 108 T 8.45 4.97 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 1.21 0.00 0.00 109 W 9.27 5.30 0.00 3.09 3.38 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 0.00 110 V 9.02 4.76 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 0.87 0.00 0.00 0.81 0.00 0.00 111 K 7.95 3.58 0.00 0.79 0.88 0.00 1.28 0.00 0.00 1.34 0.00 0.00 2.64 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.85 0.21 7.81 *113 P 0.00 4.44 0.00 2.10 2.12 0.00 3.73 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 2.05 0.00 114 E 8.03 4.02 0.00 2.12 2.12 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 2.35 2.33 0.00 115 G 8.01 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 0.00 116 W 8.40 4.49 0.00 3.43 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.43 4.98 0.00 1.63 1.78 0.00 3.61 0.00 0.00 3.43 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.85 0.00 118 I 7.90 3.46 0.56 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.17 0.00 0.00 119 V 8.41 4.17 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 0.21 0.00 0.00 0.82 0.00 0.00 120 A 7.28 4.90 1.11 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 0.00 121 A 9.00 4.84 1.20 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 0.00 122 H 8.82 5.34 0.00 3.26 3.15 0.00 5.63 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 9.26 5.05 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 1.20 0.00 0.00 1.09 0.00 0.00 124 S 8.86 4.71 0.00 3.93 3.98 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 0.00 125 L 8.72 5.03 0.00 1.65 1.02 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 *127 S 8.71 4.22 0.00 3.99 3.88 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 * Residues marked with a * may have inaccurate shift predictions.