NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.7415 8.3493 120.4855 53.6789 41.6117 172.8282 2 V 4.0580 7.6011 114.6519 60.7496 33.2040 170.3563 3 Q 4.8351 9.0863 125.8944 54.1578 32.1206 176.1824 4 L 5.2341 8.3508 120.3000 53.1968 45.7777 175.9228 5 Q 4.4702 8.6334 124.2317 54.5859 32.1380 173.9291 6 E 4.8634 8.9940 126.1853 56.5930 31.1204 177.1483 7 S 4.1304 8.9015 117.4708 57.3339 64.9135 173.1794 *9 G 3.8794 8.3193 116.4249 44.7680 0.0000 168.5957 10 P 4.3148 0.0000 0.0000 62.7231 32.1351 176.4576 11 G 4.3630 8.2114 112.4930 45.0628 0.0000 172.5540 12 L 5.2099 7.4052 119.0512 52.4389 44.0978 175.7948 13 V 4.5440 8.1976 114.1283 60.2245 36.9269 173.3464 14 A 4.4746 8.9269 123.9991 50.0629 20.4152 177.1829 15 P 4.1988 0.0000 0.0000 65.1058 31.7317 177.2885 16 S 4.6454 7.6221 109.6916 58.2566 66.6426 174.0230 17 Q 4.2844 8.2154 120.5579 55.5844 30.6011 175.0156 18 S 4.5728 8.1536 115.7049 58.6327 65.4882 173.4389 19 L 4.2475 7.9003 121.3934 54.8352 45.6028 175.1407 20 S 4.5447 8.3908 121.5779 55.8599 65.7508 172.9989 21 I 4.5425 7.7954 125.5975 59.6932 39.8172 174.9899 22 T 5.2474 8.6558 122.1544 61.9374 72.2352 172.0956 23 C 5.2806 9.8136 126.5576 55.3948 42.2563 172.4918 24 T 5.0301 8.6624 124.3045 62.4605 69.6050 174.3851 25 V 4.6818 8.3377 120.3179 59.4219 34.6209 175.2432 26 S 4.4235 8.6094 118.0151 57.1790 66.3852 175.0284 27 G 3.8394 8.6439 108.2411 45.5534 0.0000 173.0131 *29 F 4.9275 7.6561 112.4975 56.5762 39.1432 173.4909 30 S 4.7109 8.5979 113.6705 56.4980 64.9759 174.7482 31 L 4.2927 8.7977 125.5882 57.0586 41.7990 179.2817 32 T 4.0295 7.9283 109.0873 63.8283 69.5768 176.0098 33 D 4.2020 8.1678 121.4843 55.5314 41.8822 175.8273 *39 Y 5.2567 7.0106 114.3322 57.9231 38.9846 175.5890 40 G 3.9616 8.8282 109.3512 45.6746 0.0000 172.8880 41 V 4.5050 8.3630 119.7315 60.8805 34.9039 174.2843 42 N 5.3624 9.1190 124.5300 51.3200 42.0674 173.5457 43 W 5.1898 8.6865 120.3238 55.0134 32.6048 174.9701 44 V 5.1112 9.4081 123.9930 61.2772 35.0503 173.9163 45 R 5.6277 8.9005 122.5214 53.4739 33.2297 174.1906 46 Q 5.1714 8.7637 120.9552 53.7208 32.0975 174.1073 47 S 4.9996 8.6734 120.7607 55.4820 65.4782 171.9010 48 P 4.1773 0.0000 0.0000 63.8676 32.0205 175.7987 49 G 3.7235 8.4569 105.5955 49.0999 0.0000 174.1061 50 K 3.3010 8.9284 116.8951 58.6934 34.2372 174.2454 51 G 3.6247 8.7619 105.1888 46.6304 0.0000 170.7301 52 L 4.6865 8.0059 126.6352 53.1375 42.8162 175.2413 53 E 4.9151 8.7845 124.9313 54.0642 32.4103 175.0901 54 W 4.7540 9.0754 133.2980 57.8319 31.3729 175.1815 55 L 4.1475 8.8271 127.7215 55.5693 42.8061 176.6268 56 G 3.7024 6.4293 102.8598 45.9997 0.0000 171.6895 57 V 4.9775 8.6849 118.3665 60.3006 35.4380 174.2427 58 I 4.7426 8.1909 121.6255 59.2693 40.8494 174.9668 59 W 4.8394 8.7456 130.7731 56.0296 30.2586 176.6766 60 G 4.3134 9.4831 108.2832 47.6022 0.0000 173.4174 *65 D 4.9995 7.3020 118.0981 52.6665 40.3520 176.6954 66 G 3.8924 8.8296 108.0690 46.8000 0.0000 172.9596 67 I 4.3570 9.0062 122.6535 60.8435 38.3285 175.2464 68 T 5.2578 8.4759 115.1524 60.0901 72.1646 172.7848 69 D 4.9148 9.0713 121.5388 52.9978 45.1333 174.3352 70 Y 5.2866 8.5496 118.8801 55.7706 42.2914 174.6019 71 N 4.8599 8.7593 120.7104 53.6190 39.6544 175.7847 72 S 4.1726 9.4034 121.2879 61.6994 63.0171 175.8208 73 A 4.3209 7.7172 121.2870 51.6799 18.2861 177.7614 74 L 4.6622 8.4062 118.4222 57.2416 46.9507 179.2158 75 K 4.4280 8.4752 120.9062 59.6562 32.4302 177.7457 76 S 4.1183 8.0624 110.6101 59.8185 62.8527 174.6548 77 R 4.6466 8.8414 119.5011 55.4380 33.1540 175.1850 78 L 5.2983 6.8248 118.1131 53.7931 43.2460 175.7023 79 S 4.3192 7.4400 109.9036 57.3032 65.6150 173.6073 80 V 4.8015 9.5889 126.6509 61.5690 33.8974 174.5461 81 T 4.9137 8.1892 122.8942 61.6947 72.9852 172.5251 82 K 3.9005 7.5316 118.0518 56.3802 34.9512 174.3572 83 D 4.6299 7.9607 122.0732 52.5697 42.5767 176.2008 84 N 4.3590 8.8877 124.5368 56.4772 38.8016 177.3363 85 S 4.2536 8.1275 112.5224 60.5163 63.0346 174.8707 86 K 4.3311 8.4842 117.7785 55.2539 33.5165 175.8799 87 S 3.7094 7.8833 114.7784 59.5206 60.7095 172.0037 88 Q 5.7033 7.3685 117.3775 53.4283 33.4681 175.9173 89 V 4.5692 8.6220 123.1703 61.3983 34.3390 174.4198 90 F 5.7701 9.1455 125.0780 55.8568 42.6201 173.9785 91 L 4.7608 8.3620 120.9983 53.3908 45.7368 175.5819 92 K 4.7025 8.7203 124.1926 55.5869 36.3463 175.2533 93 M 5.7494 8.4777 124.2515 52.9067 36.2001 173.8398 94 N 4.6701 8.6037 115.8173 52.8396 40.1027 174.0387 95 S 3.7913 8.7764 111.3184 59.3132 60.2232 172.5484 96 L 4.3623 7.1433 118.1107 55.5830 42.0821 176.6689 97 Q 4.5198 9.4391 119.1570 54.8406 33.3278 175.4861 98 S 4.1097 9.0666 113.9814 62.3871 62.8186 177.3116 99 G 4.0365 8.3093 106.9863 49.0550 0.0000 174.0719 100 D 4.5953 8.0293 117.5159 55.7152 40.9499 176.7391 101 S 4.9594 8.7435 116.6523 58.1777 63.5221 173.6139 102 A 4.3719 7.8042 124.7643 52.0622 23.8218 173.4444 103 R 4.9550 7.8947 115.8236 55.1095 32.8827 175.4135 104 Y 5.1017 8.9617 124.4477 56.8403 40.0298 174.4012 105 Y 5.4353 10.1525 122.7397 56.2473 42.2544 172.3263 106 C 4.4961 9.2043 118.2751 53.5501 41.2914 173.1797 107 V 4.2775 8.0570 122.9086 59.5459 34.7187 173.6254 108 T 3.9118 7.7069 114.6680 62.0192 69.6425 171.9352 109 G 3.9175 8.3433 113.9387 45.5632 0.0000 173.2831 110 L 3.7529 7.7293 119.9465 55.3204 40.0935 174.6336 *136 F 4.7797 7.8957 112.9778 56.8288 40.7644 176.1642 137 D 4.3479 8.1596 121.9029 56.6777 40.9834 176.3243 138 Y 4.9376 7.7167 114.9426 55.9238 41.5923 174.1355 139 W 5.3270 9.0742 121.8513 54.8883 33.0615 174.3634 140 G 4.4470 8.6143 107.1342 43.5491 0.0000 173.0584 141 Q 4.1121 9.0313 119.2837 59.3070 28.6988 178.3841 142 G 3.5812 9.0198 100.6078 44.6989 0.0000 172.5104 143 T 4.6927 8.1771 113.9414 61.9401 72.5600 174.3724 144 T 4.7113 8.5424 122.2123 63.5227 70.7243 173.7546 145 L 4.8854 8.6104 125.5691 54.5105 45.3565 174.4662 146 T 4.9763 9.0299 123.7708 61.8398 71.3622 173.5573 147 V 4.4601 8.0744 119.8966 60.2575 33.3418 176.2773 148 S 4.5786 9.4089 120.0936 58.5939 64.2778 170.5357 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 D 8.35 4.74 0.00 2.59 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 2 V 7.60 4.06 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 -0.24 0.00 0.00 0.96 0.00 0.00 3 Q 9.09 4.84 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 4 L 8.35 5.23 0.00 1.56 1.55 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.63 4.47 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.98 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 6 E 8.99 4.86 0.00 1.97 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 0.00 2.78 2.59 0.00 7 S 8.90 4.13 0.00 3.91 3.72 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 *9 G 8.32 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 0.00 0.00 0.00 10 P 0.00 4.31 0.00 2.12 2.10 0.00 3.71 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.83 0.00 11 G 8.21 4.36 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 0.00 12 L 7.41 5.21 0.00 1.48 1.54 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.20 4.54 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 0.63 0.00 0.00 0.88 0.00 0.00 14 A 8.93 4.47 1.26 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 0.00 0.00 0.00 15 P 0.00 4.20 0.00 2.03 2.16 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 16 S 7.62 4.65 0.00 3.67 3.79 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 17 Q 8.22 4.28 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 18 S 8.15 4.57 0.00 3.68 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 19 L 7.90 4.25 0.00 1.46 1.24 0.44 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.39 4.54 0.00 3.58 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 21 I 7.80 4.54 1.25 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 1.10 0.32 1.01 0.00 0.00 22 T 8.66 5.25 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 1.35 0.00 0.00 23 C 9.81 5.28 0.00 3.14 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 24 T 8.66 5.03 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 1.20 0.00 0.00 25 V 8.34 4.68 1.53 0.00 0.00 0.00 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 0.47 0.00 0.00 26 S 8.61 4.42 0.00 3.75 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 27 G 8.64 3.84 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 0.00 0.00 0.00 *29 F 7.66 4.93 0.00 3.28 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 30 S 8.60 4.71 0.00 3.99 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 31 L 8.80 4.29 0.00 1.99 1.83 0.88 0.85 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 32 T 7.93 4.03 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 1.27 0.00 0.00 33 D 8.17 4.20 0.00 1.94 2.20 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 *39 Y 7.01 5.26 0.00 2.62 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 40 G 8.83 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 41 V 8.36 4.51 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 0.65 0.00 0.00 0.96 0.00 0.00 42 N 9.12 5.36 0.00 2.39 2.60 0.00 0.00 6.62 6.07 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 43 W 8.69 5.19 0.00 3.09 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 44 V 9.41 5.11 2.16 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 1.25 0.00 0.00 1.12 0.00 0.00 45 R 8.90 5.63 0.00 1.04 1.20 0.00 2.70 0.00 0.00 2.97 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.21 0.00 46 Q 8.76 5.17 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.22 0.00 47 S 8.67 5.00 0.00 4.01 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 48 P 0.00 4.18 0.00 2.07 2.08 0.00 3.82 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 49 G 8.46 3.72 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 0.00 0.00 0.00 50 K 8.93 3.30 0.00 1.95 1.90 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.34 1.42 7.81 51 G 8.76 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.01 4.69 0.00 1.60 1.63 0.99 0.94 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 53 E 8.78 4.92 0.00 2.16 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 2.38 2.25 0.00 54 W 9.08 4.75 0.00 3.42 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 55 L 8.83 4.15 0.00 1.61 1.51 1.06 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 56 G 6.43 3.70 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 0.00 0.00 0.00 57 V 8.68 4.98 2.44 0.00 0.00 0.00 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 -0.07 0.00 0.00 58 I 8.19 4.74 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.70 0.97 0.00 0.00 59 W 8.75 4.84 0.00 3.39 3.22 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 0.00 0.00 0.00 0.00 60 G 9.48 4.31 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 0.00 *65 D 7.30 5.00 0.00 2.90 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 66 G 8.83 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 67 I 9.01 4.36 2.23 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.66 1.02 0.00 0.00 68 T 8.48 5.26 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 1.38 0.00 0.00 69 D 9.07 4.91 0.00 3.10 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 70 Y 8.55 5.29 0.00 2.82 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 71 N 8.76 4.86 0.00 3.03 2.72 0.00 0.00 7.31 7.18 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 72 S 9.40 4.17 0.00 4.12 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 0.00 73 A 7.72 4.32 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 74 L 8.41 4.66 0.00 1.84 1.60 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.48 4.43 0.00 2.11 1.84 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.54 1.65 7.81 76 S 8.06 4.12 0.00 3.91 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 77 R 8.84 4.65 0.00 1.71 1.83 0.00 3.08 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 78 L 6.82 5.30 0.00 1.36 1.41 0.80 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 79 S 7.44 4.32 0.00 3.87 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.59 4.80 2.33 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 1.13 0.00 0.00 0.91 0.00 0.00 81 T 8.19 4.91 4.36 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 1.16 0.00 0.00 82 K 7.53 3.90 0.00 1.65 1.57 0.00 1.47 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.14 1.21 7.81 83 D 7.96 4.63 0.00 2.72 2.54 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 84 N 8.89 4.36 0.00 2.74 2.86 0.00 0.00 7.19 7.57 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 85 S 8.13 4.25 0.00 3.97 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 86 K 8.48 4.33 0.00 1.88 2.05 0.00 2.17 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.53 7.81 87 S 7.88 3.71 0.00 4.01 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 88 Q 7.37 5.70 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 89 V 8.62 4.57 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 1.48 0.00 0.00 0.94 0.00 0.00 90 F 9.15 5.77 0.00 2.91 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 L 8.36 4.76 0.00 0.27 0.57 0.07 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.72 4.70 0.00 1.59 1.54 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.22 1.34 7.81 93 M 8.48 5.75 0.00 1.84 1.77 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.11 0.00 94 N 8.60 4.67 0.00 2.60 2.69 0.00 0.00 6.02 7.64 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 95 S 8.78 3.79 0.00 4.02 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 96 L 7.14 4.36 0.00 1.69 1.58 0.84 0.75 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 97 Q 9.44 4.52 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.70 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 98 S 9.07 4.11 0.00 3.89 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 99 G 8.31 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 0.00 100 D 8.03 4.60 0.00 2.90 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 0.00 101 S 8.74 4.96 0.00 3.84 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 0.00 102 A 7.80 4.37 1.10 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 0.00 0.00 0.00 0.00 0.00 103 R 7.89 4.95 0.00 1.94 1.81 0.00 3.13 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.59 0.00 104 Y 8.96 5.10 0.00 3.04 3.09 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 0.00 0.00 0.00 105 Y 10.15 5.44 0.00 2.84 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 0.00 106 C 9.20 4.50 0.00 1.76 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 0.00 107 V 8.06 4.28 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 0.00 0.00 0.01 0.00 0.00 -0.04 0.00 0.00 108 T 7.71 3.91 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 1.04 0.00 0.00 109 G 8.34 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 0.00 110 L 7.73 3.75 0.00 1.60 2.09 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 *136 F 7.90 4.78 0.00 3.38 3.21 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 0.00 137 D 8.16 4.35 0.00 2.50 1.98 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 0.00 138 Y 7.72 4.94 0.00 3.09 2.92 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 0.00 139 W 9.07 5.33 0.00 3.20 3.23 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 0.00 140 G 8.61 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 9.03 4.11 0.00 2.11 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.70 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 142 G 9.02 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.18 4.69 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 1.24 0.00 0.00 144 T 8.54 4.71 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 1.24 0.00 0.00 145 L 8.61 4.89 0.00 1.64 1.63 0.79 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 146 T 9.03 4.98 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 0.00 147 V 8.07 4.46 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 0.62 0.00 0.00 0.97 0.00 0.00 148 S 9.41 4.58 0.00 3.74 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 * Residues marked with a * may have inaccurate shift predictions.