NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4429 8.3049 118.1945 54.3913 32.5981 174.8185 1 I 3.6080 8.0974 120.1209 61.6114 37.4886 174.5440 2 Q 4.8531 9.2921 124.0709 54.6481 33.5003 174.0265 3 R 4.7987 9.4060 123.3167 54.5441 33.6905 175.2398 4 T 4.8952 8.8824 120.1499 61.7918 69.5479 172.7742 5 P 4.7932 0.0000 0.0000 62.7188 32.3178 176.3503 6 K 4.3477 9.3388 123.6967 56.5680 33.4709 176.0484 7 I 5.1439 8.2811 123.1746 59.7851 40.6473 174.7612 8 Q 4.8407 9.4301 125.2976 54.0870 32.6803 174.4243 9 V 5.1201 8.4290 122.8735 61.4985 34.2242 173.8237 10 Y 5.2625 8.5269 124.5197 56.9082 41.6485 172.7896 11 S 5.0776 9.0666 114.2907 56.6868 64.9435 174.3668 12 R 4.1299 9.1457 122.9263 59.2647 30.2110 176.5246 13 H 5.0787 8.5498 113.9482 52.7453 31.4155 172.3446 14 P 4.3137 0.0000 0.0000 62.9108 31.5978 176.3727 15 A 4.2875 8.8169 126.2957 52.2685 19.2167 176.5221 16 E 4.6481 8.5581 121.2819 54.1302 32.8735 175.0380 17 N 4.7077 8.8875 121.7137 54.9948 38.9904 175.5175 18 G 3.9039 9.2793 110.6786 45.4926 0.0000 173.1128 19 K 4.5278 7.6509 119.2803 53.9009 34.0518 176.4590 20 S 4.1199 8.3224 118.0590 58.5301 64.1637 172.6673 21 N 4.8005 8.0855 118.4116 53.4762 43.1945 172.3857 22 F 5.2929 8.7656 117.1233 55.5545 42.9896 174.1219 23 L 3.9089 8.6000 125.8884 53.7837 43.2850 174.8722 24 N 5.3716 8.9723 123.9078 51.4221 41.9766 172.8410 25 C 5.2664 9.4492 122.7308 55.1414 47.8659 171.8340 26 Y 5.4393 9.4937 129.4062 56.5173 40.1297 174.4826 27 V 5.0623 8.7561 120.6912 59.7406 34.7766 175.0559 28 S 5.0090 8.9658 118.0562 58.1394 66.7866 174.9605 29 G 4.2660 8.6096 107.4273 46.7756 0.0000 173.4143 30 F 5.1953 7.3626 114.3897 55.8707 41.0405 174.1165 31 H 5.3004 8.9727 117.8859 54.7260 33.7404 171.8027 32 P 5.0793 0.0000 0.0000 62.4453 32.1917 176.1612 33 S 4.1118 8.4392 113.0975 60.0775 63.2649 174.2448 34 D 4.3758 7.9672 121.4641 54.7446 40.7407 175.2748 35 I 4.6697 8.0121 123.2406 59.6151 41.4354 173.3290 36 E 4.6229 9.0863 128.1156 54.5057 31.9763 175.1115 37 V 4.4976 7.9540 123.6723 60.9916 34.2199 174.0941 38 D 4.9860 8.9458 127.5510 52.4306 44.3539 174.9527 39 L 4.9628 8.3342 121.7048 53.5238 44.0058 175.3884 40 L 5.2538 9.0965 122.9589 52.7423 45.4751 175.4019 41 K 4.1901 8.7890 124.0752 54.7254 34.6384 175.6193 42 N 3.8347 9.9098 126.2994 54.2722 36.5791 175.7029 43 G 3.9202 8.7926 107.5582 45.7568 0.0000 174.4101 *44 E 4.6925 7.6953 115.9753 53.2155 32.5568 180.6835 45 R 4.3050 8.4744 123.1014 55.9234 30.5362 176.1093 46 I 4.0073 8.6349 130.0653 61.5765 37.8137 176.6793 *47 E 4.0874 8.9698 122.0692 58.5408 29.8941 174.5320 48 K 4.3606 7.6784 122.4140 54.2175 30.7580 173.7938 49 V 4.5130 7.7115 121.0106 60.5217 34.1878 174.0872 50 E 4.6589 8.5512 126.8279 54.8760 32.7045 174.1499 51 H 5.2544 7.7773 115.1346 53.7810 31.7660 173.1167 52 S 4.5749 8.8083 114.9506 57.9002 64.1628 173.5786 53 D 4.4770 8.4897 120.6704 53.5473 41.2119 176.2900 54 L 3.9641 8.5776 125.5598 56.3162 42.6547 175.8507 55 S 4.7464 8.2705 118.8588 57.0488 66.7006 171.7212 56 F 5.2653 7.5713 114.6523 55.7096 40.8809 174.1803 57 S 4.6708 9.4080 119.3329 57.5705 64.1199 176.3384 *58 K 4.0617 8.4973 122.7412 57.6577 31.2496 176.1061 59 D 4.4861 7.8283 114.6663 53.2091 39.5032 177.2263 60 W 3.6823 8.0630 119.6962 56.6937 28.0961 174.5764 61 S 4.3720 8.1332 114.0487 58.0569 64.0581 173.8548 62 F 5.1031 8.4251 121.1197 57.0795 40.9282 174.2931 63 Y 5.4497 8.2934 117.9183 55.8883 41.6767 173.9496 64 L 5.1694 9.4741 120.1830 53.3321 47.0693 174.6485 65 L 5.4266 9.2345 124.3218 53.8183 44.7271 174.5547 66 Y 5.2326 9.2935 124.6632 56.8171 40.3297 174.3945 67 Y 5.8000 8.6125 120.1702 57.1051 41.9307 173.3849 68 T 4.9771 8.3826 113.7567 60.6370 71.1289 172.5481 69 E 3.9347 8.5977 126.6062 56.6637 30.4320 176.2236 70 F 4.7775 8.7203 116.5159 56.1867 41.6572 173.3265 71 T 4.1748 8.1462 117.7035 60.7838 70.5349 171.9207 72 P 4.6078 0.0000 0.0000 62.9627 31.9262 175.5078 73 T 4.9455 8.6181 112.6782 60.0027 72.0568 175.2182 *74 E 4.1518 8.9663 117.4558 58.1117 29.6781 176.6117 75 K 4.5384 7.2773 113.0984 57.0378 34.2933 176.6172 76 D 4.5480 8.0877 120.3695 54.3131 41.3744 175.1186 77 E 4.8794 8.9290 123.1432 54.9164 31.9864 174.7449 78 Y 5.3469 8.8380 120.1255 56.6281 42.3114 174.1233 79 A 5.1259 8.7892 121.7645 51.4329 23.7567 174.1182 80 C 5.3684 9.3051 119.2679 54.7833 46.2705 172.6496 81 R 5.1297 9.1073 125.6851 54.5159 32.7213 174.0333 82 V 4.7584 8.9136 126.5368 61.0240 34.5230 173.6774 83 N 5.3218 8.9721 125.7938 52.4344 42.5584 172.2604 84 H 5.0120 8.3727 122.0526 55.0245 32.9405 174.6991 85 V 3.5878 8.1077 122.2018 64.6849 31.2772 177.2536 86 T 4.2015 7.9650 108.9065 62.1973 69.3093 173.5416 87 L 4.8535 7.6566 123.5017 52.9038 43.5141 176.9245 88 S 4.3323 8.7133 118.5081 60.4472 63.5660 174.0087 89 Q 4.5800 7.5653 116.7162 53.3963 31.2935 172.3104 90 P 4.4340 0.0000 0.0000 63.3747 32.1739 175.4202 91 K 4.4917 9.1507 125.4942 54.9794 34.0739 174.8748 92 I 4.9606 8.3936 127.8793 59.5510 39.4948 174.8719 93 V 4.4453 8.5128 127.3077 60.9347 33.8488 174.6775 94 K 4.7038 8.7038 127.3334 55.3724 33.2562 176.4499 95 W 4.5718 9.1206 135.0000 57.4636 31.6820 174.7900 96 D 4.4707 8.4463 126.3087 51.8569 42.7070 176.4844 97 R 3.7735 7.7097 122.9800 57.9424 29.5812 176.3607 98 D 4.9841 8.3656 118.9904 53.8985 41.6835 175.7344 99 M 4.3907 7.9217 122.5252 55.3160 33.1864 175.0840 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 M 8.30 4.44 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 1 I 8.10 3.61 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.62 0.88 0.00 0.00 2 Q 9.29 4.85 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.62 0.00 3 R 9.41 4.80 0.00 1.92 1.95 0.00 3.17 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 4 T 8.88 4.90 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 1.25 0.00 0.00 5 P 0.00 4.79 0.00 1.97 1.73 0.00 3.73 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.73 0.00 6 K 9.34 4.35 0.00 1.87 1.83 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.48 7.81 7 I 8.28 5.14 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.60 0.96 0.00 0.00 8 Q 9.43 4.84 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 9 V 8.43 5.12 2.31 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 0.91 0.00 0.00 1.07 0.00 0.00 10 Y 8.53 5.26 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 11 S 9.07 5.08 0.00 4.26 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 12 R 9.15 4.13 0.00 1.82 2.23 0.00 3.18 0.00 0.00 3.04 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.47 0.00 13 H 8.55 5.08 0.00 3.35 3.22 0.00 5.73 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.31 0.00 2.11 2.09 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 15 A 8.82 4.29 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.56 4.65 0.00 1.98 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 2.31 2.49 0.00 17 N 8.89 4.71 0.00 2.73 2.79 0.00 0.00 7.20 7.65 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 18 G 9.28 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 19 K 7.65 4.53 0.00 1.84 1.68 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.31 7.81 20 S 8.32 4.12 0.00 3.76 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 21 N 8.09 4.80 0.00 2.75 2.52 0.00 0.00 7.10 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 22 F 8.77 5.29 0.00 3.01 2.90 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 23 L 8.60 3.91 0.00 0.27 0.69 -0.23 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.97 5.37 0.00 1.44 1.93 0.00 0.00 6.03 6.97 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 25 C 9.45 5.27 0.00 2.89 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 26 Y 9.49 5.44 0.00 3.44 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 27 V 8.76 5.06 1.93 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 0.62 0.00 0.00 1.06 0.00 0.00 28 S 8.97 5.01 0.00 3.88 3.32 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 29 G 8.61 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 30 F 7.36 5.20 0.00 3.05 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 31 H 8.97 5.30 0.00 3.30 3.22 0.00 5.58 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 32 P 0.00 5.08 0.00 2.16 2.18 0.00 3.93 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 33 S 8.44 4.11 0.00 3.25 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 34 D 7.97 4.38 0.00 2.67 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 35 I 8.01 4.67 1.47 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.53 0.84 0.00 0.00 36 E 9.09 4.62 0.00 1.82 1.73 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 2.17 2.15 0.00 37 V 7.95 4.50 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.40 0.00 0.00 38 D 8.95 4.99 0.00 2.50 2.45 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 39 L 8.33 4.96 0.00 1.56 1.51 0.83 0.50 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 40 L 9.10 5.25 0.00 1.53 1.51 0.92 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.79 4.19 0.00 1.89 1.63 0.00 1.92 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.09 0.84 7.81 42 N 9.91 3.83 0.00 2.79 2.82 0.00 0.00 7.25 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 43 G 8.79 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 *44 E 7.70 4.69 0.00 1.89 1.78 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 2.13 2.07 0.00 45 R 8.47 4.30 0.00 1.75 1.87 0.00 3.41 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 46 I 8.63 4.01 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.79 0.92 0.00 0.00 *47 E 8.97 4.09 0.00 1.99 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 0.00 2.23 1.86 0.00 48 K 7.68 4.36 0.00 1.69 1.75 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.39 7.81 49 V 7.71 4.51 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 0.99 0.00 0.00 0.95 0.00 0.00 50 E 8.55 4.66 0.00 1.16 1.37 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 2.10 2.05 0.00 51 H 7.78 5.25 0.00 2.25 1.89 0.00 5.72 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.81 4.57 0.00 3.98 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 53 D 8.49 4.48 0.00 2.69 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 54 L 8.58 3.96 0.00 1.63 1.63 0.82 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.27 4.75 0.00 3.79 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 56 F 7.57 5.27 0.00 2.81 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 57 S 9.41 4.67 0.00 4.10 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 *58 K 8.50 4.06 0.00 1.77 1.75 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.02 7.81 59 D 7.83 4.49 0.00 2.76 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 60 W 8.06 3.68 0.00 3.26 3.07 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 0.00 0.00 0.00 61 S 8.13 4.37 0.00 3.96 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 62 F 8.43 5.10 0.00 1.52 2.43 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 63 Y 8.29 5.45 0.00 3.00 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 64 L 9.47 5.17 0.00 1.91 1.66 1.14 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 65 L 9.23 5.43 0.00 2.07 1.71 1.14 1.17 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 66 Y 9.29 5.23 0.00 3.09 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 67 Y 8.61 5.80 0.00 3.06 3.10 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 68 T 8.38 4.98 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 1.08 0.00 0.00 69 E 8.60 3.93 0.00 1.69 1.59 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 1.47 1.70 0.00 70 F 8.72 4.78 0.00 2.79 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 71 T 8.15 4.17 4.15 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 1.13 0.00 0.00 72 P 0.00 4.61 0.00 2.25 2.25 0.00 3.42 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.73 0.00 73 T 8.62 4.95 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 1.29 0.00 0.00 *74 E 8.97 4.15 0.00 2.01 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 2.23 1.88 0.00 75 K 7.28 4.54 0.00 1.84 1.96 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.39 7.81 76 D 8.09 4.55 0.00 2.90 2.45 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 77 E 8.93 4.88 0.00 1.86 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 0.00 2.27 2.43 0.00 78 Y 8.84 5.35 0.00 3.12 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.79 5.13 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 80 C 9.31 5.37 0.00 2.97 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 81 R 9.11 5.13 0.00 1.81 1.67 0.00 3.05 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 82 V 8.91 4.76 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 0.71 0.00 0.00 0.81 0.00 0.00 83 N 8.97 5.32 0.00 2.67 2.53 0.00 0.00 6.32 7.43 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 84 H 8.37 5.01 0.00 3.07 3.03 0.00 5.73 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.11 3.59 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 0.68 0.00 0.00 0.91 0.00 0.00 86 T 7.97 4.20 4.32 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 1.37 0.00 0.00 87 L 7.66 4.85 0.00 1.89 1.79 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.71 4.33 0.00 3.97 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 Q 7.57 4.58 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.89 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 90 P 0.00 4.43 0.00 1.93 2.01 0.00 3.64 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 91 K 9.15 4.49 0.00 1.82 1.64 0.00 1.47 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.45 7.81 92 I 8.39 4.96 1.88 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 1.22 0.77 0.93 0.00 0.00 93 V 8.51 4.45 2.15 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 1.16 0.00 0.00 0.97 0.00 0.00 94 K 8.70 4.70 0.00 1.74 1.79 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.47 7.81 95 W 9.12 4.57 0.00 3.30 3.48 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 96 D 8.45 4.47 0.00 2.58 2.39 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 97 R 7.71 3.77 0.00 1.90 1.10 0.00 2.99 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.48 0.00 98 D 8.37 4.98 0.00 2.55 2.62 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 99 M 7.92 4.39 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 * Residues marked with a * may have inaccurate shift predictions.