NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3101 8.1749 110.9367 60.8657 70.8692 173.7913 4 I 3.9125 7.7033 124.2630 61.1560 37.8255 173.8742 5 R 4.5845 9.8406 126.9280 54.3154 33.5991 174.7342 6 R 4.9599 8.3037 121.7355 54.7765 32.4452 174.6946 7 Y 4.5983 9.1990 122.2735 56.2369 41.3328 175.1455 8 D 4.5623 8.5214 118.3560 55.3564 39.3938 173.8939 9 V 4.0085 7.6607 117.6722 62.5712 32.7962 174.4727 10 N 4.7847 8.9234 125.9532 51.5774 39.2491 174.7461 11 E 4.0084 8.7098 126.3340 59.4623 29.9490 178.7639 12 D 4.4738 8.1999 117.5241 57.0329 40.9948 177.4027 13 R 4.1815 8.2086 115.7731 55.5579 31.0956 176.1104 14 G 3.9172 7.9008 106.1946 46.3463 0.0000 172.4283 15 H 5.0623 7.3588 112.2801 54.2991 33.1443 173.4646 16 T 4.7466 8.4479 115.9851 61.7918 69.6230 174.7221 17 G 3.8731 9.0533 115.0324 49.0184 0.0000 173.1886 18 L 5.2173 8.5069 123.3031 53.4849 45.7768 174.9190 19 V 4.9564 9.2715 127.2281 61.2379 33.9801 173.6339 20 E 4.8546 9.7752 129.3559 54.6480 31.7767 174.4706 21 A 4.6250 8.7933 128.7599 49.6302 21.8164 177.0623 22 G 3.7368 8.7886 113.6320 48.1953 0.0000 173.8996 23 D 4.6318 8.9370 126.2025 54.1758 41.3529 175.0611 24 F 5.2643 8.1068 119.0576 55.8571 42.0255 174.3095 25 Y 5.1666 9.1144 119.7501 56.5095 41.4121 173.9485 26 Y 5.0069 9.4292 122.7181 56.3169 39.9455 174.7939 27 L 5.0224 8.7681 125.0984 53.4029 43.5396 176.3299 28 N 4.8889 8.7970 122.8723 53.0627 39.8811 173.9141 29 Y 4.4938 8.5070 120.1266 58.0775 38.6856 175.5031 30 C 5.2055 9.4320 119.2286 58.1398 31.5360 173.3932 31 V 4.7361 8.2571 121.3689 60.6068 34.5185 174.1676 32 G 3.8883 8.8221 108.4882 45.8056 0.0000 172.4691 33 N 4.0940 8.2896 113.6061 54.0226 36.1327 175.0746 34 V 3.8559 7.5441 115.5210 63.8555 32.7914 175.9220 35 G 4.1150 8.8609 112.8778 45.2995 0.0000 173.5511 36 Q 4.6865 7.2980 118.0759 54.2877 30.6374 174.9751 37 D 4.6842 8.1652 119.2579 53.0785 41.6931 176.8302 38 I 3.6841 8.1655 118.4214 64.0340 37.8211 177.1599 39 E 3.8537 8.0856 119.7575 59.4490 29.6040 178.7887 40 S 4.0939 8.2676 115.1480 61.8149 62.8886 176.8177 41 Q 4.5149 8.0280 122.0173 58.1468 28.3332 178.8342 42 I 2.9453 7.5323 120.9784 64.1584 37.0042 178.0672 43 N 4.4796 8.2362 117.5935 56.4280 38.3739 177.7539 44 G 3.5669 8.6704 107.1727 47.5689 0.0000 175.6739 45 A 4.0315 7.8546 122.2467 55.1505 18.5378 179.4792 46 F 4.7796 7.9935 115.1927 60.7849 39.2082 177.3041 47 D 4.6205 8.5222 118.8726 57.2367 40.5853 179.6139 48 E 4.2389 8.0805 118.0075 56.6220 29.5782 178.2820 *50 E 4.1709 8.1819 118.6585 55.9133 31.6684 178.3155 51 R 3.8573 8.1674 117.3835 59.4381 30.4401 178.5343 52 R 4.0384 8.1476 117.9288 59.3439 30.0329 178.9767 53 L 3.8126 7.9197 117.9951 57.7753 41.5980 179.3289 54 A 3.8732 8.0759 120.4835 54.8671 17.9993 179.5315 55 L 3.9755 7.5028 116.8085 56.9470 41.5568 178.5091 56 V 4.0389 7.0538 109.5895 60.6441 32.0890 175.6813 57 G 3.7391 7.9170 106.7883 46.4160 0.0000 173.9949 58 L 4.5389 7.6490 118.7735 52.6367 44.3067 175.2627 59 T 4.6321 7.5704 108.8709 59.4535 72.0973 174.5150 60 L 3.8165 8.1493 119.7570 57.6568 41.5269 179.2975 61 D 4.2825 7.5263 117.0998 56.6890 41.2795 176.7074 62 A 4.3040 7.9115 120.5163 52.3976 19.1938 176.8456 63 V 4.2526 7.6091 117.0469 62.7809 32.1246 175.8948 64 V 4.3105 8.9168 120.5921 62.4893 33.9827 175.0368 65 Q 5.5335 7.5767 119.5178 55.7224 33.1896 172.3002 *67 D 4.8726 8.4880 118.7894 54.4413 42.6326 174.5730 68 C 4.7074 9.1708 121.8452 57.9932 30.7168 172.6994 69 L 5.0747 8.2916 124.9138 53.0630 43.4637 175.5808 70 F 5.5418 9.2621 123.1094 55.6514 41.7309 176.7180 71 R 4.1614 9.3342 123.3634 58.2223 30.9831 175.7416 72 D 4.9185 8.3426 117.8011 51.4364 42.6906 175.8304 73 V 3.2033 9.0262 128.4511 63.6133 31.2108 177.5816 74 W 4.2064 8.0500 118.4512 58.2001 29.0584 176.7601 75 N 4.6415 8.1893 116.7193 53.5856 37.9468 176.5461 76 I 3.4838 6.8157 122.4543 64.3013 37.5729 175.8028 77 P 4.4205 0.0000 0.0000 65.2868 30.7884 178.7961 78 V 3.5536 7.4651 113.8029 63.7407 31.0923 176.3430 *80 E 4.3482 8.2651 119.7232 55.9925 31.2458 178.3193 81 K 3.7075 7.8402 116.3442 57.6314 32.3146 178.0015 *83 I 4.2950 7.8533 119.6990 61.0410 38.8367 178.2099 84 K 4.3001 8.1072 118.4557 59.4128 31.8092 179.0374 85 E 4.1770 8.2956 118.4817 58.8316 29.4694 178.5985 86 R 4.4338 8.0070 115.4899 56.6907 31.7387 177.4125 87 F 4.2319 8.6297 116.6776 57.3883 40.3923 175.9119 88 N 4.2238 8.6353 113.3068 54.0301 35.2687 174.6130 89 G 3.5600 7.9567 111.2638 45.9617 0.0000 171.5350 90 R 4.1490 7.3151 118.1611 54.5087 31.3156 174.3671 91 Y 4.8536 7.8290 120.1474 55.3900 40.2908 174.4385 92 P 4.7226 0.0000 0.0000 61.8769 32.8404 175.9902 93 A 4.3868 8.6488 123.6177 52.4780 19.4488 176.8902 94 R 5.0260 8.2611 116.0329 55.2104 32.8732 173.8633 95 K 4.8024 8.5104 117.0918 55.6008 36.3588 174.9753 96 S 5.5109 8.6785 116.3875 57.0106 66.1862 173.6218 97 I 4.6815 9.0246 123.6589 59.5732 41.2534 174.0022 98 Q 5.0062 8.6651 127.2340 55.3838 29.6405 174.4969 99 T 4.5727 8.6309 120.0691 60.2519 71.3617 172.7905 100 E 3.8924 8.5242 126.4905 55.9909 30.4365 175.7971 101 F 4.9427 8.2082 120.6790 55.5624 42.4220 175.0876 102 A 4.4759 8.3835 124.1148 51.8073 18.1254 177.0672 103 H 5.0059 7.7420 119.3163 55.1245 33.6472 173.3220 104 H 4.2302 8.7662 120.0312 56.3139 29.2821 174.9206 105 G 4.1777 8.6175 109.7929 46.8721 0.0000 172.9213 106 G 3.9945 8.7467 109.6204 44.5506 0.0000 170.2637 107 P 4.4449 0.0000 0.0000 64.3931 31.7053 175.8383 108 Q 4.1101 8.3815 119.8166 55.9483 26.3650 173.9531 109 G 4.0168 7.9282 106.3653 44.2884 0.0000 173.9185 110 L 4.1738 8.1086 122.1535 54.7181 42.5511 176.4679 111 L 4.9711 9.2749 124.7192 54.8544 44.7107 175.9823 112 F 5.2333 7.6771 119.0199 57.1645 42.3157 173.0677 113 Q 4.5870 7.9895 123.3598 54.2327 33.8142 174.1726 114 V 4.8655 8.1785 119.0657 60.3411 35.1643 173.6414 115 D 5.1652 8.3923 122.1192 52.0083 43.1847 173.7340 116 G 4.1125 7.4707 103.9357 46.5142 0.0000 172.2067 117 V 4.9756 8.5248 118.8660 60.9719 34.9245 174.7668 118 A 5.3877 9.3591 127.8630 50.4510 22.9807 174.0794 119 Y 5.0615 8.9543 119.7152 56.2223 42.2189 174.8913 120 S 4.0276 8.0038 120.8768 56.7349 65.4598 173.6946 121 K 3.9846 7.9870 129.4436 56.5731 32.5807 176.1852 122 H 4.3450 9.1161 122.9274 56.1277 28.6361 175.1016 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 4.31 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 3.91 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 1.34 0.64 0.95 0.00 0.00 5 R 9.84 4.58 0.00 1.80 1.43 0.00 3.07 0.00 0.00 3.25 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 8.30 4.96 0.00 1.58 1.82 0.00 3.15 0.00 0.00 3.22 7.16 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 9.20 4.60 0.00 2.99 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 8 D 8.52 4.56 0.00 3.00 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 9 V 7.66 4.01 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 0.89 0.00 0.00 0.92 0.00 0.00 10 N 8.92 4.78 0.00 2.57 2.30 0.00 0.00 7.01 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 11 E 8.71 4.01 0.00 1.98 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 2.30 2.27 0.00 12 D 8.20 4.47 0.00 2.78 2.73 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 13 R 8.21 4.18 0.00 1.68 2.05 0.00 3.54 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.00 14 G 7.90 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 15 H 7.36 5.06 0.00 3.19 3.41 0.00 5.62 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.45 4.75 4.30 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 1.36 0.00 0.00 17 G 9.05 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 18 L 8.51 5.22 0.00 1.82 1.62 1.01 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.27 4.96 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 1.02 0.00 0.00 1.01 0.00 0.00 20 E 9.78 4.85 0.00 2.35 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 0.00 2.16 1.76 0.00 21 A 8.79 4.63 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 8.79 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 0.00 0.00 0.00 23 D 8.94 4.63 0.00 2.68 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 0.00 0.00 0.00 24 F 8.11 5.26 0.00 3.23 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 25 Y 9.11 5.17 0.00 2.78 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 26 Y 9.43 5.01 0.00 2.95 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 27 L 8.77 5.02 0.00 1.88 1.62 0.98 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.80 4.89 0.00 2.87 2.47 0.00 0.00 7.20 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 29 Y 8.51 4.49 0.00 2.93 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 9.43 5.21 0.00 2.95 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 31 V 8.26 4.74 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 0.69 0.00 0.00 0.83 0.00 0.00 32 G 8.82 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 0.00 0.00 0.00 33 N 8.29 4.09 0.00 2.99 2.85 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 7.54 3.86 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 0.63 0.00 0.00 0.84 0.00 0.00 35 G 8.86 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 36 Q 7.30 4.69 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 37 D 8.17 4.68 0.00 2.96 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 38 I 8.17 3.68 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.19 0.94 0.00 0.00 39 E 8.09 3.85 0.00 2.06 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 2.37 2.39 0.00 40 S 8.27 4.09 0.00 3.91 3.97 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 41 Q 8.03 4.51 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 42 I 7.53 2.95 1.64 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.28 0.27 0.00 0.00 43 N 8.24 4.48 0.00 2.88 2.90 0.00 0.00 6.98 7.86 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 44 G 8.67 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 45 A 7.85 4.03 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 46 F 7.99 4.78 0.00 3.23 3.02 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 47 D 8.52 4.62 0.00 2.92 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 8.08 4.24 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 2.35 0.00 *50 E 8.18 4.17 0.00 2.33 1.97 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 2.17 2.33 0.00 51 R 8.17 3.86 0.00 1.80 2.11 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 1.66 0.00 52 R 8.15 4.04 0.00 1.88 1.95 0.00 3.29 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 53 L 7.92 3.81 0.00 1.58 1.58 0.86 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.08 3.87 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 7.50 3.98 0.00 1.54 1.54 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.05 4.04 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 0.13 0.00 0.00 0.36 0.00 0.00 57 G 7.92 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 0.00 0.00 0.00 58 L 7.65 4.54 0.00 1.46 1.34 0.06 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.57 4.63 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 1.11 0.00 0.00 60 L 8.15 3.82 0.00 1.21 0.76 0.05 0.58 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 61 D 7.53 4.28 0.00 2.52 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 7.91 4.30 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 63 V 7.61 4.25 2.40 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 0.99 0.00 0.00 1.02 0.00 0.00 64 V 8.92 4.31 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 0.83 0.00 0.00 1.10 0.00 0.00 65 Q 7.58 5.53 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.67 0.00 0.00 0.00 0.00 0.00 2.49 2.22 0.00 *67 D 8.49 4.87 0.00 2.98 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 68 C 9.17 4.71 0.00 3.11 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 69 L 8.29 5.07 0.00 1.63 1.70 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 70 F 9.26 5.54 0.00 2.94 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 71 R 9.33 4.16 0.00 2.22 2.20 0.00 3.18 0.00 0.00 3.11 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.52 0.00 72 D 8.34 4.92 0.00 2.78 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 73 V 9.03 3.20 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 0.45 0.00 0.00 0.63 0.00 0.00 74 W 8.05 4.21 0.00 3.39 3.25 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 75 N 8.19 4.64 0.00 2.99 3.00 0.00 0.00 6.87 6.87 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 76 I 6.82 3.48 1.61 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 1.29 -0.24 0.83 0.00 0.00 77 P 0.00 4.42 0.00 2.17 2.12 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 78 V 7.47 3.55 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 0.98 0.00 0.00 *80 E 8.27 4.35 0.00 2.21 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 2.25 2.52 0.00 81 K 7.84 3.71 0.00 1.83 1.98 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.13 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.45 7.81 *83 I 7.85 4.29 1.92 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 1.14 0.74 0.52 0.00 0.00 84 K 8.11 4.30 0.00 1.92 1.96 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.50 7.81 85 E 8.30 4.18 0.00 2.04 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 0.00 2.40 2.71 0.00 86 R 8.01 4.43 0.00 1.78 1.81 0.00 3.35 0.00 0.00 3.49 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 87 F 8.63 4.23 0.00 3.39 3.31 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 88 N 8.64 4.22 0.00 2.86 3.19 0.00 0.00 6.19 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 7.96 3.56 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 0.00 0.00 0.00 90 R 7.32 4.15 0.00 1.71 1.80 0.00 3.21 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.42 0.00 91 Y 7.83 4.85 0.00 2.93 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 92 P 0.00 4.72 0.00 1.93 2.03 0.00 3.43 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.20 0.00 93 A 8.65 4.39 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 8.26 5.03 0.00 1.83 1.89 0.00 3.10 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 95 K 8.51 4.80 0.00 1.80 1.90 0.00 1.45 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.49 7.81 96 S 8.68 5.51 0.00 3.76 4.05 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 0.00 0.00 0.00 0.00 97 I 9.02 4.68 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 0.82 0.88 0.00 0.00 98 Q 8.67 5.01 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.65 0.00 99 T 8.63 4.57 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 0.65 0.00 0.00 100 E 8.52 3.89 0.00 1.85 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 2.26 2.37 0.00 101 F 8.21 4.94 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 0.00 102 A 8.38 4.48 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 7.74 5.01 0.00 3.09 3.11 0.00 5.94 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.77 4.23 0.00 3.23 3.38 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 8.62 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 0.00 0.00 0.00 0.00 106 G 8.75 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 0.00 107 P 0.00 4.44 0.00 2.08 2.05 0.00 3.87 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 4.11 0.00 2.39 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 109 G 7.93 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 0.00 110 L 8.11 4.17 0.00 1.31 1.44 0.64 0.25 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 9.27 4.97 0.00 1.64 1.79 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 112 F 7.68 5.23 0.00 2.82 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 0.00 113 Q 7.99 4.59 0.00 1.80 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 1.96 1.58 0.00 114 V 8.18 4.87 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 0.91 0.00 0.00 1.13 0.00 0.00 115 D 8.39 5.17 0.00 3.00 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 0.00 116 G 7.47 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 0.00 117 V 8.52 4.98 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 0.87 0.00 0.00 0.93 0.00 0.00 118 A 9.36 5.39 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 0.00 119 Y 8.95 5.06 0.00 2.57 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 0.00 120 S 8.00 4.03 0.00 3.63 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 0.00 121 K 7.99 3.98 0.00 1.67 1.59 0.00 1.92 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.42 7.81 122 H 9.12 4.34 0.00 3.21 3.20 0.00 5.93 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.