NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4808 8.2893 120.3260 55.7887 33.4122 173.5857 2 R 4.2845 7.8021 114.5299 54.3563 31.6812 172.7607 3 L 4.2157 9.1012 122.2882 54.6865 43.3578 177.4981 4 L 4.4020 8.5856 126.8607 57.1645 42.5575 176.4343 5 H 5.7247 7.4621 109.8566 56.2013 31.5525 172.3166 6 T 4.5446 8.3095 114.9127 61.9318 71.2073 172.8717 7 M 4.7651 8.5460 126.5573 54.2203 33.7328 175.0564 8 L 4.5039 8.6288 125.4935 52.8268 45.8020 175.7687 9 R 4.5533 8.4022 122.2099 55.5550 30.9563 176.2143 10 V 4.6653 8.9189 116.7107 59.5713 34.3732 176.4798 11 G 3.9365 10.1709 111.3485 47.3015 0.0000 173.5020 12 D 4.3110 7.8856 119.3028 51.8297 43.8497 174.7485 13 L 3.9376 8.0120 129.1425 58.4922 42.2183 178.3667 14 Q 3.9771 7.9564 118.7262 59.3422 29.1214 178.2541 15 R 3.9824 8.5648 119.7971 59.3632 30.0289 178.5635 16 S 4.2692 8.0169 112.6657 61.3974 62.4834 175.9103 17 I 3.7823 8.2499 122.9388 64.7590 36.9527 177.7315 18 D 4.4568 8.5253 119.9235 57.6838 40.7184 179.1766 19 F 4.0484 8.2091 120.2609 61.6857 39.4519 176.7758 20 Y 3.9153 8.1761 116.5661 61.1812 37.5853 178.1161 21 T 4.9341 8.0528 111.9632 63.5604 69.2466 177.2935 22 K 4.0138 8.3316 123.2484 57.4828 32.2322 178.8295 23 V 3.9369 7.2810 116.5389 64.6179 32.5558 177.1058 24 L 4.2481 7.4039 115.3731 54.6666 41.7552 177.8235 25 G 3.9342 7.8192 107.0551 45.9736 0.0000 173.4989 26 M 4.3262 8.2080 120.8359 54.2042 34.0051 175.0609 27 K 4.8897 8.6596 118.7316 54.8958 36.1099 175.6217 28 L 4.4367 8.4634 124.2761 55.0878 41.6150 176.3895 29 L 4.3566 9.0052 128.3375 57.2071 42.1818 177.8287 30 R 4.5504 7.5284 111.7000 55.9447 31.9612 173.3053 31 T 5.4285 8.5948 114.2533 60.8558 70.8599 172.7578 32 S 4.8574 9.4994 120.1846 57.0026 66.9720 172.2498 33 E 5.0073 8.7996 121.2379 54.6310 32.7278 174.9919 34 N 4.6293 9.0965 125.1349 50.8454 39.5727 172.8308 35 P 4.2749 0.0000 0.0000 65.3701 31.8981 177.4854 36 E 3.7760 8.2011 116.9221 59.5566 29.1902 177.2764 37 Y 4.2352 8.2299 112.7823 57.2184 38.9294 175.4439 38 K 2.0000 7.2860 119.2898 56.1249 29.8716 173.9038 39 Y 4.9752 5.6480 114.9367 55.7604 42.1610 175.2045 40 S 5.4344 10.0704 116.7083 57.0099 67.2516 173.1994 41 L 5.4705 9.8179 122.6266 53.2739 46.1987 175.5320 42 A 5.1731 8.5780 122.2182 50.8573 23.0741 175.0447 43 F 4.9653 10.1433 122.6666 55.8896 41.1576 175.3750 44 V 4.8008 8.1596 117.3843 59.7040 34.9616 175.1355 45 G 4.1319 8.2846 109.5838 46.5203 0.0000 173.6140 46 Y 4.5182 8.7833 116.5448 59.2593 38.4128 175.4437 47 G 4.3092 7.3799 105.6860 43.8333 0.0000 170.2551 48 P 4.4250 0.0000 0.0000 62.0906 31.3198 177.6448 49 E 4.1076 8.9887 122.1862 59.7851 29.6193 179.6351 50 T 4.1282 7.9528 107.6797 63.7785 68.9614 174.6561 51 E 4.4946 8.1907 120.3738 56.5238 31.1350 175.0484 52 E 4.6906 7.5749 115.6083 54.2406 33.0178 173.7759 53 A 4.4701 8.3543 120.7840 52.2628 19.4723 177.1769 54 V 4.5753 8.6845 113.4829 59.9641 36.7367 173.9619 55 I 4.7870 8.4806 121.2072 59.8248 40.0879 174.7785 56 E 4.0752 8.8577 127.7860 54.2548 31.5535 174.3079 57 L 4.9596 8.2784 127.8097 53.4503 44.1839 175.7633 58 T 5.0610 8.6466 119.7976 61.8229 72.0005 172.3977 59 Y 5.0923 9.4537 126.9622 55.9798 41.9130 173.8165 60 N 4.9314 8.0732 125.7250 51.4035 40.0786 175.0596 61 W 4.3995 8.1930 124.2288 58.7940 29.5536 176.9554 62 G 3.9341 9.1309 111.0938 45.3631 0.0000 173.0721 63 V 4.1450 7.7383 120.1287 61.1268 32.3889 174.7936 64 D 5.4046 8.4625 125.2836 52.3016 40.5355 175.6103 65 K 4.5941 7.3156 119.7424 55.2723 35.1900 173.8955 66 Y 4.6395 8.2929 121.0273 56.2722 41.7775 174.4119 67 E 4.5567 8.6032 120.0612 54.5770 30.3058 176.1422 68 L 3.9227 8.6795 127.1654 56.1884 42.4034 178.2593 69 G 3.9826 8.0503 106.7996 45.0482 0.0000 172.6762 70 T 4.4830 8.3555 106.0696 61.3169 69.7357 174.9364 71 A 4.1872 8.1327 125.3089 55.0991 19.1728 177.7477 72 Y 4.2192 8.0766 115.7362 57.9631 38.7691 174.7636 73 G 3.3593 6.9719 116.6728 45.1741 0.0000 174.9250 74 H 4.3521 6.1066 115.9664 54.6797 32.0250 173.1706 75 I 4.7245 8.0005 117.5727 59.6096 40.0364 174.8145 76 A 5.2207 8.7531 128.1225 50.3451 20.7989 175.9413 77 L 5.0162 8.9107 122.3347 52.6281 45.4455 176.1786 78 S 4.8157 8.6438 117.3301 58.1145 63.7402 173.6755 79 V 4.3758 8.8157 122.3534 60.0870 33.8489 176.5317 80 D 4.1777 8.8258 123.4510 57.0038 41.0194 177.0226 81 N 4.8610 7.7392 119.3373 50.5948 40.6836 174.0467 82 A 3.9232 10.0633 131.3917 54.9655 18.7317 178.5827 83 A 3.9215 8.0797 118.6623 55.5019 18.3319 179.2255 84 E 3.8298 8.6068 117.1240 59.4471 29.6847 178.7268 85 A 3.9700 8.2261 120.9845 55.4850 18.4040 179.2829 86 C 4.0427 8.3418 115.2579 62.9981 28.1565 176.2259 87 E 3.9228 7.9778 119.7205 59.2872 29.0462 179.2329 88 K 4.0371 8.3216 119.8686 59.7944 32.0449 178.7519 89 I 3.8181 8.2319 119.0501 64.3005 36.9414 178.1938 90 R 4.0806 8.5019 120.0818 59.4573 29.9001 178.1162 91 Q 4.4062 8.3313 114.5250 57.2874 28.8493 175.8653 92 N 4.8307 7.6208 117.4931 53.5909 38.8386 175.1988 93 G 4.3137 8.1238 112.1580 45.5189 0.0000 175.2394 94 G 4.0575 7.7197 107.1644 45.6410 0.0000 171.1177 95 N 5.1542 8.3412 116.4302 51.3450 41.8168 174.6864 96 V 4.6079 8.3145 121.8225 61.7323 32.2120 175.3340 97 T 4.2762 8.7519 118.6091 63.1483 70.1326 175.0493 98 R 4.4451 8.4403 123.8212 55.1138 32.5185 173.8993 99 E 4.4447 8.9662 125.9980 56.2875 30.3376 177.1817 100 A 4.2107 8.7840 124.5319 52.6389 19.1646 177.0020 101 G 4.0928 8.2480 107.8582 44.9074 0.0000 170.8403 102 P 4.9817 0.0000 0.0000 62.2723 32.2132 176.9108 103 V 3.8062 8.7012 122.1974 60.8559 32.1908 175.6143 104 K 3.8136 8.6902 123.0637 58.4242 32.1403 176.3982 105 G 3.9708 9.3859 113.3812 46.1160 0.0000 173.1523 106 G 4.1059 8.1539 108.3477 44.6046 0.0000 172.3774 107 T 4.4323 8.3300 106.3257 62.2353 70.9509 174.4120 108 T 3.8875 7.8796 119.2724 63.7794 69.6413 173.7651 109 V 4.2735 8.4700 127.5058 62.8275 32.8990 174.7572 110 I 5.1625 9.1697 120.4129 59.7351 41.6535 173.4813 111 A 5.2005 8.8989 124.0623 50.8497 23.6260 174.8596 112 F 5.1301 9.2366 116.9105 56.0479 42.8413 175.2616 113 V 5.0538 9.4289 115.8473 59.7981 36.3303 173.8777 114 E 5.3628 8.9063 119.8456 54.7954 33.2724 176.6374 115 D 3.6009 8.8900 123.8155 51.3180 40.7700 175.3843 116 P 3.9907 0.0000 0.0000 65.2507 31.1651 177.2283 117 D 4.5443 8.2935 115.3908 53.8932 40.9410 177.1350 118 G 3.8900 8.1325 107.9439 45.1038 0.0000 173.6725 119 Y 4.5217 8.2826 118.6845 57.8491 38.7902 175.2026 120 K 4.8288 9.0943 124.9351 56.2398 34.0284 175.3108 121 I 5.1346 9.4943 128.3623 59.5729 40.7939 173.8080 122 E 3.9900 8.9205 128.3233 54.4747 31.3065 174.3497 123 L 5.0827 8.7182 127.3023 53.0231 44.4147 175.3255 124 I 4.6196 8.5383 124.9982 59.4958 40.0378 174.6951 125 E 4.6907 9.1666 129.6346 54.6698 28.5763 175.9687 126 E 4.3349 8.1850 131.1020 55.2469 30.5099 175.4939 *134 G 3.8630 7.9154 107.3904 44.4877 0.0000 172.3554 135 N 4.5616 8.0044 122.0803 52.0250 37.4771 174.9318 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 M 8.29 4.48 0.00 2.02 2.09 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 2.50 2.53 0.00 2 R 7.80 4.28 0.00 1.96 1.86 0.00 3.03 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 3 L 9.10 4.22 0.00 1.63 1.64 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.59 4.40 0.00 1.56 1.72 0.91 0.97 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 5 H 7.46 5.72 0.00 3.22 3.34 0.00 5.08 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.31 4.54 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 1.11 0.00 0.00 7 M 8.55 4.77 0.00 1.89 2.03 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 8 L 8.63 4.50 0.00 1.13 0.68 0.19 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.40 4.55 0.00 0.67 0.85 0.00 2.65 0.00 0.00 2.90 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.32 0.00 10 V 8.92 4.67 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 0.82 0.00 0.00 1.10 0.00 0.00 11 G 10.17 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 12 D 7.89 4.31 0.00 2.66 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 13 L 8.01 3.94 0.00 1.79 1.58 1.01 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 7.96 3.98 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 15 R 8.56 3.98 0.00 1.91 2.15 0.00 3.13 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 16 S 8.02 4.27 0.00 4.19 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 17 I 8.25 3.78 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.81 0.96 0.00 0.00 18 D 8.53 4.46 0.00 2.91 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 19 F 8.21 4.05 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 20 Y 8.18 3.92 0.00 3.22 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 21 T 8.05 4.93 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 1.25 0.00 0.00 22 K 8.33 4.01 0.00 1.92 1.90 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.45 7.81 23 V 7.28 3.94 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 0.62 0.00 0.00 0.87 0.00 0.00 24 L 7.40 4.25 0.00 1.78 1.75 0.70 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.82 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 26 M 8.21 4.33 0.00 1.72 2.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.02 0.00 27 K 8.66 4.89 0.00 1.78 1.89 0.00 1.33 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.39 7.81 28 L 8.46 4.44 0.00 1.69 1.67 1.04 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 29 L 9.01 4.36 0.00 1.71 1.71 1.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.53 4.55 0.00 1.82 1.94 0.00 2.70 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.52 0.00 31 T 8.59 5.43 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 1.26 0.00 0.00 32 S 9.50 4.86 0.00 3.89 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 33 E 8.80 5.01 0.00 2.10 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 2.53 2.84 0.00 34 N 9.10 4.63 0.00 2.01 1.44 0.00 0.00 7.07 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 35 P 0.00 4.27 0.00 2.11 2.29 0.00 3.75 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 2.08 2.21 0.00 36 E 8.20 3.78 0.00 1.78 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 1.47 1.99 0.00 37 Y 8.23 4.24 0.00 3.19 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 38 K 7.29 2.00 0.00 1.72 1.45 0.00 1.62 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.22 7.81 39 Y 5.65 4.98 0.00 3.08 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 40 S 10.07 5.43 0.00 4.19 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 41 L 9.82 5.47 0.00 1.65 1.49 1.21 0.73 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 42 A 8.58 5.17 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 43 F 10.14 4.97 0.00 2.90 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 44 V 8.16 4.80 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 0.74 0.00 0.00 0.68 0.00 0.00 45 G 8.28 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 0.00 0.00 0.00 46 Y 8.78 4.52 0.00 3.16 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 47 G 7.38 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 48 P 0.00 4.43 0.00 2.19 1.98 0.00 3.70 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.11 0.00 49 E 8.99 4.11 0.00 1.97 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 2.43 2.30 0.00 50 T 7.95 4.13 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 1.19 0.00 0.00 51 E 8.19 4.49 0.00 1.97 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 0.00 2.26 2.22 0.00 52 E 7.57 4.69 0.00 2.32 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 2.41 2.30 0.00 53 A 8.35 4.47 1.31 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 54 V 8.68 4.58 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 0.83 0.00 0.00 1.10 0.00 0.00 55 I 8.48 4.79 1.53 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.57 0.49 0.00 0.00 56 E 8.86 4.08 0.00 1.16 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 1.69 1.47 0.00 57 L 8.28 4.96 0.00 1.55 1.52 0.89 0.51 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 58 T 8.65 5.06 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 1.03 0.00 0.00 59 Y 9.45 5.09 0.00 3.12 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 60 N 8.07 4.93 0.00 2.87 2.66 0.00 0.00 6.54 7.55 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 61 W 8.19 4.40 0.00 3.36 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 62 G 9.13 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 63 V 7.74 4.15 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 0.27 0.00 0.00 0.84 0.00 0.00 64 D 8.46 5.40 0.00 2.91 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 65 K 7.32 4.59 0.00 1.61 1.55 0.00 1.59 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.27 1.47 7.81 66 Y 8.29 4.64 0.00 2.92 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 67 E 8.60 4.56 0.00 1.98 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 2.28 0.00 68 L 8.68 3.92 0.00 1.55 1.72 1.12 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.05 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 0.00 0.00 0.00 70 T 8.36 4.48 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 71 A 8.13 4.19 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 72 Y 8.08 4.22 0.00 2.93 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 73 G 6.97 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 0.00 0.00 0.00 74 H 6.11 4.35 0.00 3.36 3.31 0.00 5.47 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.00 4.72 2.03 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 1.27 1.22 1.00 0.00 0.00 76 A 8.75 5.22 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 77 L 8.91 5.02 0.00 1.60 1.66 1.15 0.84 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 78 S 8.64 4.82 0.00 3.80 3.80 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 79 V 8.82 4.38 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 0.83 0.00 0.00 0.89 0.00 0.00 80 D 8.83 4.18 0.00 2.64 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 81 N 7.74 4.86 0.00 2.66 2.62 0.00 0.00 7.02 8.20 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 82 A 10.06 3.92 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 83 A 8.08 3.92 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 84 E 8.61 3.83 0.00 2.18 1.94 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 2.30 2.47 0.00 85 A 8.23 3.97 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 86 C 8.34 4.04 0.00 3.20 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 87 E 7.98 3.92 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 2.50 2.47 0.00 88 K 8.32 4.04 0.00 1.90 1.86 0.00 1.61 0.00 0.00 1.77 0.00 0.00 3.22 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.47 7.81 89 I 8.23 3.82 2.13 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 1.45 0.67 1.12 0.00 0.00 90 R 8.50 4.08 0.00 1.96 2.14 0.00 3.10 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 91 Q 8.33 4.41 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.03 0.00 0.00 0.00 0.00 0.00 2.54 2.41 0.00 92 N 7.62 4.83 0.00 2.88 2.89 0.00 0.00 7.16 8.92 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 93 G 8.12 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 94 G 7.72 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 0.00 0.00 0.00 95 N 8.34 5.15 0.00 2.61 2.72 0.00 0.00 6.87 7.56 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 96 V 8.31 4.61 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 0.93 0.00 0.00 0.98 0.00 0.00 97 T 8.75 4.28 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 1.25 0.00 0.00 98 R 8.44 4.45 0.00 2.01 2.18 0.00 3.44 0.00 0.00 3.31 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 99 E 8.97 4.44 0.00 1.92 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 2.35 2.30 0.00 100 A 8.78 4.21 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 0.00 101 G 8.25 4.09 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 0.00 0.00 0.00 102 P 0.00 4.98 0.00 2.09 2.19 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 103 V 8.70 3.81 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 0.66 0.00 0.00 0.97 0.00 0.00 104 K 8.69 3.81 0.00 1.75 1.81 0.00 1.89 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.48 7.81 105 G 9.39 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 0.00 0.00 0.00 106 G 8.15 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 0.00 107 T 8.33 4.43 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 0.00 108 T 7.88 3.89 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 1.24 0.00 0.00 109 V 8.47 4.27 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 0.94 0.00 0.00 0.93 0.00 0.00 110 I 9.17 5.16 1.82 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 1.19 0.54 0.91 0.00 0.00 111 A 8.90 5.20 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 0.00 112 F 9.24 5.13 0.00 3.01 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 0.00 113 V 9.43 5.05 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 0.90 0.00 0.00 1.15 0.00 0.00 114 E 8.91 5.36 0.00 1.89 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 2.28 2.28 0.00 115 D 8.89 3.60 0.00 2.13 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 0.00 116 P 0.00 3.99 0.00 1.97 2.06 0.00 2.79 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.81 0.00 117 D 8.29 4.54 0.00 2.48 2.53 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 0.00 0.00 0.00 0.00 118 G 8.13 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 0.00 119 Y 8.28 4.52 0.00 3.48 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 0.00 120 K 9.09 4.83 0.00 1.98 2.01 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.82 1.71 7.81 121 I 9.49 5.13 2.04 0.00 0.00 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 1.39 1.10 1.08 0.00 0.00 122 E 8.92 3.99 0.00 1.22 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 0.00 1.83 1.47 0.00 123 L 8.72 5.08 0.00 1.49 1.50 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 124 I 8.54 4.62 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.84 0.88 0.00 0.00 125 E 9.17 4.69 0.00 1.93 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 2.26 2.27 0.00 126 E 8.18 4.33 0.00 1.96 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 2.25 2.26 0.00 *134 G 7.92 3.86 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 0.00 0.00 0.00 135 N 8.00 4.56 0.00 2.80 2.76 0.00 0.00 5.83 7.56 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 * Residues marked with a * may have inaccurate shift predictions.