NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 C 4.5292 8.3293 118.3646 59.3767 28.4686 172.9349 11 P 4.3837 0.0000 0.0000 63.3061 32.7765 174.3119 12 L 5.0469 7.7148 122.0536 53.4099 45.1362 176.2761 13 M 4.9143 9.1436 125.3965 53.6731 36.2090 173.8233 14 V 4.8655 8.3165 123.8763 60.9077 34.9460 174.0582 15 K 5.0265 9.0188 128.2531 54.5866 35.5502 174.7848 16 V 4.8052 8.8608 126.5875 61.1032 34.7254 174.1553 17 L 5.1523 8.9967 126.9545 52.8882 46.1249 174.8070 18 D 5.2847 9.0407 121.1276 52.7724 42.7523 176.3934 19 A 4.3814 9.3863 128.3164 53.3867 18.7541 178.4331 20 V 3.9132 8.5469 114.6904 64.9710 32.0702 176.9713 21 R 4.2988 8.8209 116.5179 55.5282 31.0638 176.0018 22 G 3.8675 8.2676 105.4023 45.8306 0.0000 172.5404 23 S 4.7420 7.3581 111.4853 55.8977 67.2538 172.9174 24 P 4.5945 0.0000 0.0000 62.8570 31.7757 176.4779 25 A 4.4259 8.6839 124.8912 50.1992 19.4991 176.3028 26 I 4.2794 8.3637 122.1580 61.2981 39.0466 175.7903 27 N 4.1226 8.4361 121.4169 54.3646 36.6537 174.4748 28 V 4.1817 7.7677 117.8600 61.6111 33.2786 174.9197 29 A 4.5735 8.5568 129.9341 51.9062 19.9962 176.1071 30 V 4.7527 8.7912 121.6686 61.3624 35.1039 173.8214 31 H 5.1549 9.1406 124.7106 53.9184 31.7335 172.9041 32 V 4.8936 8.8034 123.4839 61.2460 33.8503 174.4459 33 F 5.5777 9.4386 125.3582 55.7839 43.2987 173.7090 34 R 4.5935 9.1513 122.0906 54.2220 32.5356 174.8288 35 K 3.9933 8.5119 128.1411 55.9031 32.7866 176.6756 36 A 4.2947 8.6351 130.7513 50.5682 20.0209 177.8458 37 A 3.8686 8.3795 122.2695 55.0166 18.4151 178.2213 38 D 4.5972 7.8761 113.4560 53.2594 39.5669 176.7761 39 D 4.1120 7.9086 117.0954 55.3502 39.1985 174.0322 40 T 4.0927 7.5925 110.6027 60.9737 70.9175 173.6590 41 W 5.2035 8.4397 122.2593 55.2163 30.3348 175.5964 42 E 4.7139 9.5352 124.8458 54.2286 30.9460 174.0706 43 P 4.3954 0.0000 0.0000 63.7549 31.5555 174.9734 44 F 4.8061 8.7307 124.0077 59.3873 41.6341 174.6721 45 A 4.5181 7.7233 117.0221 51.5515 22.2312 174.7931 46 S 4.6566 7.7264 112.9410 57.5692 66.2487 173.3926 47 G 3.9393 7.6249 105.5839 46.3747 0.0000 171.8243 48 K 5.2764 8.4851 118.4702 54.2160 35.2225 176.9426 49 T 4.2029 8.6555 114.9195 61.9496 70.1859 174.8354 50 S 4.6666 8.6721 118.9159 57.0961 64.9099 174.4728 51 E 3.9081 8.7107 117.5709 59.1255 29.0551 177.6815 52 S 4.3790 7.9769 112.4163 57.8975 63.5797 175.0105 53 G 3.8834 8.5649 110.4042 44.9898 0.0000 172.6486 54 E 5.0880 7.5315 118.5993 54.2071 33.1329 175.1018 55 L 4.8245 8.8291 124.2150 53.9783 44.7513 175.2373 56 H 4.8200 8.8950 123.0159 54.6169 31.5494 175.1089 57 G 3.8910 8.7467 105.7186 46.3169 0.0000 174.8553 58 L 3.9847 7.8750 121.1768 57.5029 41.7040 176.4897 59 T 4.4764 7.2595 109.7050 60.2127 70.5091 172.1107 60 T 4.7943 8.0788 111.5722 59.0311 72.8812 174.2689 61 E 4.1377 8.7926 120.1231 59.9059 29.5580 178.7910 62 E 4.1366 8.2520 118.1268 58.7528 29.6674 177.9648 63 E 4.4688 7.9586 117.2838 56.5364 31.3646 177.0308 64 F 5.0158 7.7783 121.9308 56.5573 36.5250 174.8061 65 V 4.0138 7.1446 115.0937 59.6827 33.1568 176.1708 66 E 4.0420 8.5740 120.6323 56.1041 29.7904 177.5188 67 G 3.8242 7.0804 109.1122 45.2471 0.0000 170.7204 68 I 4.5810 7.1266 119.9118 60.2427 38.7934 175.1017 69 Y 5.1518 8.6300 124.1702 55.8905 41.9351 174.3983 70 K 4.8972 9.1927 123.1140 54.5979 35.4795 174.8369 71 V 4.7032 9.2421 127.8896 61.4993 33.6915 174.2521 72 E 4.9771 9.5133 129.6260 54.9418 31.2988 175.2996 73 I 4.4727 8.5701 127.3909 60.1931 38.4052 176.4153 74 D 5.2322 8.9155 130.1304 53.7473 37.8867 177.1281 75 T 3.9921 7.7805 114.2178 64.1886 69.5538 176.7709 76 K 4.1182 7.7950 121.3697 59.7424 32.3015 179.0561 77 S 4.2044 8.1190 114.8107 61.3742 62.2429 175.8554 78 Y 3.9246 7.6653 121.2517 60.5558 38.4964 178.2779 79 W 4.2529 8.2349 119.8036 59.8019 29.1653 178.7522 80 K 4.0237 8.4602 118.2655 59.3854 31.2525 179.2261 81 A 4.0414 7.9182 119.9944 54.2336 18.3384 178.5804 82 L 4.3527 7.1967 115.0154 54.2220 41.9789 177.3084 83 G 3.9302 8.0332 107.1140 45.9891 0.0000 173.3969 84 I 4.4741 7.8729 119.4118 58.9879 39.4698 175.3213 85 S 4.4801 8.6275 119.3556 56.7927 62.6651 171.5528 86 P 4.8472 0.0000 0.0000 60.9130 33.8492 174.9532 87 F 3.8865 8.3079 121.1323 60.7591 39.4573 176.0432 88 H 4.3686 7.7875 115.6184 54.9913 30.0503 175.5437 89 E 4.0789 8.7095 122.1056 59.2696 29.6019 176.4952 90 H 4.9790 7.6670 109.2304 55.6177 30.9752 172.9090 91 A 4.3057 8.2672 121.4801 50.6655 20.6444 176.0968 92 E 5.0464 8.6921 120.1271 54.4531 33.1107 175.5257 93 V 4.4330 8.8527 123.9497 61.1983 34.2960 174.1427 94 V 5.1285 8.5354 128.0885 61.1465 33.7089 174.3768 95 F 5.0727 8.9594 121.2109 56.3866 41.7456 172.7856 96 T 4.9230 8.6384 116.3357 62.1717 69.4975 174.3457 97 A 4.3694 8.8398 129.2269 51.4277 19.9522 175.6220 98 N 5.3521 9.4895 121.8348 51.6001 41.5655 173.8595 99 D 4.4117 9.3696 127.8019 54.2847 41.2740 176.3193 *103 R 4.2042 8.3080 122.6304 56.0799 31.5245 174.9642 104 R 4.7709 9.1005 121.5600 54.6299 33.1350 174.3430 105 Y 4.6605 9.2498 123.2423 57.5281 39.5909 174.6761 106 T 4.8779 8.9520 121.7124 61.8968 71.2343 173.3504 107 I 4.6472 8.7326 128.3207 59.8324 38.9387 174.7289 108 A 5.3085 8.8148 128.8874 50.1223 22.2086 174.8913 109 A 5.1659 8.9104 121.1437 50.1494 23.3898 175.0072 110 L 5.0213 9.2582 124.0224 53.4244 44.6088 174.9844 111 L 5.2895 9.0899 127.5726 53.6403 43.7838 176.1763 112 S 5.2560 9.4683 118.7201 55.9953 67.0626 173.5914 113 P 3.2140 0.0000 0.0000 65.0602 31.0743 177.9233 114 Y 4.5438 7.6715 112.0965 57.2332 38.6936 174.9355 115 S 4.7314 7.9128 113.6549 57.6331 65.7542 173.0210 116 Y 5.6197 7.9366 122.5041 55.5663 41.1296 174.0559 117 S 4.9502 9.1207 115.3692 56.9850 66.1688 172.7779 118 T 5.2242 8.4739 115.5449 61.0168 70.7215 172.2094 119 T 4.8474 8.8786 120.3127 60.6706 71.8471 171.8102 120 A 5.1717 8.5054 125.0653 49.9131 21.9662 175.7229 121 V 4.1956 8.7799 121.9039 61.0805 34.0740 174.5782 122 V 4.6107 8.4123 128.5012 61.1903 33.4729 175.2497 123 T 4.2379 8.2197 117.5739 61.8292 68.9538 173.8182 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 10 C 8.33 4.53 0.00 2.98 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 11 P 0.00 4.38 0.00 2.21 2.45 0.00 3.72 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 1.84 2.11 0.00 12 L 7.71 5.05 0.00 0.71 1.12 0.84 0.64 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 13 M 9.14 4.91 0.00 1.95 1.72 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.46 0.00 14 V 8.32 4.87 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 0.95 0.00 0.00 0.88 0.00 0.00 15 K 9.02 5.03 0.00 1.76 1.53 0.00 1.72 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.30 7.81 16 V 8.86 4.81 1.88 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 0.75 0.00 0.00 0.80 0.00 0.00 17 L 9.00 5.15 0.00 1.57 1.51 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 18 D 9.04 5.28 0.00 2.66 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 19 A 9.39 4.38 1.43 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 0.00 0.00 20 V 8.55 3.91 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 0.96 0.00 0.00 0.99 0.00 0.00 21 R 8.82 4.30 0.00 1.92 2.03 0.00 3.53 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 22 G 8.27 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 23 S 7.36 4.74 0.00 3.88 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 24 P 0.00 4.59 0.00 1.94 2.15 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 25 A 8.68 4.43 0.54 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 0.00 0.00 26 I 8.36 4.28 1.91 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 1.60 0.78 0.92 0.00 0.00 27 N 8.44 4.12 0.00 2.92 2.91 0.00 0.00 6.87 6.96 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 28 V 7.77 4.18 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 0.83 0.00 0.00 0.46 0.00 0.00 29 A 8.56 4.57 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 30 V 8.79 4.75 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 0.93 0.00 0.00 0.85 0.00 0.00 31 H 9.14 5.15 0.00 3.19 2.73 0.00 5.83 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.80 4.89 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 1.20 0.00 0.00 0.96 0.00 0.00 33 F 9.44 5.58 0.00 3.10 3.27 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 34 R 9.15 4.59 0.00 1.53 1.77 0.00 2.67 0.00 0.00 3.03 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.00 0.00 35 K 8.51 3.99 0.00 1.26 1.27 0.00 1.32 0.00 0.00 1.34 0.00 0.00 2.73 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.81 0.21 7.81 36 A 8.64 4.29 1.24 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 0.00 0.00 37 A 8.38 3.87 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 38 D 7.88 4.60 0.00 2.71 2.69 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 39 D 7.91 4.11 0.00 2.71 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 T 7.59 4.09 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 1.15 0.00 0.00 41 W 8.44 5.20 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.54 4.71 0.00 2.10 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 0.00 2.48 2.44 0.00 43 P 0.00 4.40 0.00 2.02 2.06 0.00 3.77 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.42 0.00 44 F 8.73 4.81 0.00 3.10 3.19 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 45 A 7.72 4.52 1.12 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 0.00 0.00 0.00 46 S 7.73 4.66 0.00 3.62 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 47 G 7.62 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.49 5.28 0.00 1.57 1.65 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.36 7.81 49 T 8.66 4.20 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 1.17 0.00 0.00 50 S 8.67 4.67 0.00 4.02 4.13 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 51 E 8.71 3.91 0.00 2.09 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 0.00 2.27 2.30 0.00 52 S 7.98 4.38 0.00 4.02 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 53 G 8.56 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 54 E 7.53 5.09 0.00 1.83 1.77 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 2.19 2.37 0.00 55 L 8.83 4.82 0.00 1.62 1.41 0.93 0.85 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 56 H 8.89 4.82 0.00 3.03 3.18 0.00 5.83 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.75 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 58 L 7.87 3.98 0.00 1.56 1.69 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.26 4.48 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 1.01 0.00 0.00 60 T 8.08 4.79 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 1.20 0.00 0.00 61 E 8.79 4.14 0.00 2.23 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 0.00 2.33 2.46 0.00 62 E 8.25 4.14 0.00 2.01 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 0.00 2.36 2.41 0.00 63 E 7.96 4.47 0.00 2.01 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 0.00 2.51 2.52 0.00 64 F 7.78 5.02 0.00 3.13 3.03 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 65 V 7.14 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 0.82 0.00 0.00 0.94 0.00 0.00 66 E 8.57 4.04 0.00 1.91 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 2.44 2.42 0.00 67 G 7.08 3.82 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 0.00 0.00 0.00 68 I 7.13 4.58 1.71 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.65 1.04 0.00 0.00 69 Y 8.63 5.15 0.00 1.91 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 70 K 9.19 4.90 0.00 0.79 0.98 0.00 1.28 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 1.03 7.81 71 V 9.24 4.70 2.19 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 0.94 0.00 0.00 1.14 0.00 0.00 72 E 9.51 4.98 0.00 2.23 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 2.11 2.17 0.00 73 I 8.57 4.47 1.71 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.86 0.76 0.00 0.00 74 D 8.92 5.23 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 75 T 7.78 3.99 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 1.16 0.00 0.00 76 K 7.80 4.12 0.00 2.30 1.91 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.55 7.81 77 S 8.12 4.20 0.00 3.94 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 78 Y 7.67 3.92 0.00 2.93 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 79 W 8.23 4.25 0.00 3.51 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 80 K 8.46 4.02 0.00 1.93 1.90 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.71 7.81 81 A 7.92 4.04 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 82 L 7.20 4.35 0.00 1.78 1.71 0.36 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.03 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 0.00 0.00 0.00 84 I 7.87 4.47 2.30 0.00 0.00 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 1.25 0.96 0.75 0.00 0.00 85 S 8.63 4.48 0.00 3.87 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 86 P 0.00 4.85 0.00 2.27 2.06 0.00 3.86 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.09 0.00 87 F 8.31 3.89 0.00 1.51 2.58 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 88 H 7.79 4.37 0.00 3.27 3.41 0.00 5.95 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 89 E 8.71 4.08 0.00 1.87 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 2.27 2.17 0.00 90 H 7.67 4.98 0.00 3.27 3.21 0.00 5.12 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.27 4.31 0.36 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 92 E 8.69 5.05 0.00 1.85 1.83 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 2.16 2.42 0.00 93 V 8.85 4.43 2.18 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 0.87 0.00 0.00 0.97 0.00 0.00 94 V 8.54 5.13 2.18 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 1.12 0.00 0.00 0.86 0.00 0.00 95 F 8.96 5.07 0.00 3.18 3.11 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 96 T 8.64 4.92 4.33 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 1.23 0.00 0.00 97 A 8.84 4.37 0.75 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 0.00 0.00 98 N 9.49 5.35 0.00 2.73 2.83 0.00 0.00 7.29 8.24 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 99 D 9.37 4.41 0.00 2.83 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 *103 R 8.31 4.20 0.00 1.78 1.57 0.00 3.12 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 1.41 1.61 0.00 104 R 9.10 4.77 0.00 1.61 1.80 0.00 3.10 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 105 Y 9.25 4.66 0.00 2.97 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 0.00 106 T 8.95 4.88 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 1.16 0.00 0.00 107 I 8.73 4.65 1.81 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.85 0.87 0.00 0.00 108 A 8.81 5.31 1.19 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 0.00 0.00 109 A 8.91 5.17 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 0.00 110 L 9.26 5.02 0.00 1.75 1.59 0.98 0.53 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 0.00 111 L 9.09 5.29 0.00 1.76 2.00 0.50 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 112 S 9.47 5.26 0.00 3.90 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 0.00 113 P 0.00 3.21 0.00 2.06 1.74 0.00 3.33 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.61 0.00 114 Y 7.67 4.54 0.00 2.78 2.78 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 0.00 115 S 7.91 4.73 0.00 3.79 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.94 5.62 0.00 3.07 2.91 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 0.00 117 S 9.12 4.95 0.00 3.93 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 0.00 118 T 8.47 5.22 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 119 T 8.88 4.85 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 0.00 120 A 8.51 5.17 1.13 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 0.00 0.00 121 V 8.78 4.20 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 0.97 0.00 0.00 0.90 0.00 0.00 122 V 8.41 4.61 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 0.36 0.00 0.00 0.80 0.00 0.00 123 T 8.22 4.24 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 1.16 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.