NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 A 4.2466 8.2531 123.5806 51.5463 20.6402 176.7607 21 G 3.7609 7.7799 104.6893 44.1228 0.0000 171.3045 22 D 4.8876 9.0771 120.3717 53.6030 43.5392 174.6407 23 V 4.5487 8.5964 114.9143 59.5083 35.4892 174.7082 24 V 4.9721 8.2629 122.4121 61.6848 34.0857 174.4379 25 T 4.7635 8.9375 120.1320 61.3069 70.9884 174.1345 26 R 4.3525 8.6908 123.4448 56.1362 31.1338 176.2775 27 D 4.5955 8.0348 119.5283 53.0649 40.5034 177.1558 28 V 3.7427 8.2404 121.2266 63.7148 31.7818 178.2066 29 N 4.5038 8.1026 116.3071 55.0386 38.3676 175.9241 30 K 4.2712 7.8462 116.7027 57.0342 32.7392 177.0260 31 L 3.9080 7.3297 119.1596 52.7046 42.8445 175.5489 32 P 4.1813 0.0000 0.0000 62.6100 33.1018 177.7454 33 V 3.4865 8.3707 119.9830 66.4114 31.1394 178.4124 34 A 3.9487 7.8339 118.5638 54.9447 18.2968 179.0193 35 A 3.5411 7.4045 118.2780 55.0126 18.6760 179.5612 36 R 3.9848 7.6459 116.4721 59.1963 30.0882 179.7067 37 E 4.2817 8.2245 116.5900 56.8782 29.3390 179.0119 *39 I 4.4663 7.8495 122.2001 61.5580 39.1744 178.4881 40 G 3.6527 8.2535 108.2028 48.1553 0.0000 174.8374 41 K 4.0187 8.2943 120.6275 58.9294 32.2972 177.2561 42 H 4.5941 8.0925 112.3323 55.8739 30.3090 174.5650 43 F 5.5454 8.2533 118.6591 55.8184 39.6700 176.6259 44 S 4.3838 8.2151 115.4054 60.2693 63.7367 175.1143 45 Q 4.1778 8.0531 119.1517 58.1941 28.9877 175.0163 46 T 4.8517 7.7091 112.1757 61.4144 70.1342 171.7206 47 K 4.5531 8.0604 117.4902 55.5848 35.3627 174.4890 48 V 3.8491 8.1823 119.6217 63.4210 31.4206 175.1478 49 A 4.4955 9.0114 131.5500 53.9546 19.0086 176.6409 50 Y 5.0840 7.0007 110.7813 56.0361 42.1707 172.9470 51 I 5.0723 9.2243 120.5700 59.6427 41.0921 174.6917 52 K 4.9164 9.5315 127.4001 55.2298 34.0158 175.6218 53 I 4.5906 9.0790 127.2241 59.8686 38.7098 174.7131 54 E 5.3359 8.7799 126.5274 53.3274 33.3338 175.2368 55 K 5.0535 8.8291 121.2196 54.9391 34.9594 176.0880 56 D 4.8205 8.5208 124.0606 51.7925 41.8134 176.6593 57 L 3.9103 8.2015 117.8137 57.9784 40.5438 177.2803 58 F 4.6688 8.4216 117.5210 56.8289 39.0992 175.5578 59 Q 3.6510 8.0972 118.7883 57.2773 26.7376 173.2593 60 T 4.5928 8.0196 113.4187 62.6374 70.7021 174.2654 61 T 4.8312 8.4245 122.4456 63.1678 69.5927 174.0931 62 S 4.9407 8.9118 119.7134 56.7300 67.5246 172.2649 63 Y 5.0182 9.0728 117.4042 56.4130 41.2258 174.4850 64 D 5.3497 9.4197 125.4122 52.7505 43.2053 175.4473 65 V 4.7768 9.1934 124.7757 60.8803 34.1906 174.0609 66 K 4.5797 8.3094 129.4544 54.8912 33.6962 175.5847 67 L 4.7839 8.7628 127.3802 53.4453 43.1317 177.9304 68 A 3.9073 8.8008 124.8265 55.0764 18.3993 178.5782 69 D 4.5445 7.6628 113.5374 53.6699 39.7792 177.2992 70 G 3.9944 8.1868 109.3257 45.2208 0.0000 174.4189 71 I 3.9390 7.8214 120.9496 61.7554 38.4972 174.9300 72 E 5.0330 8.8730 124.2678 54.5238 32.9962 174.9142 73 L 5.0048 8.8182 123.7240 52.7183 45.7305 175.1126 74 E 5.1722 8.7661 122.6301 54.5051 33.1368 174.5054 75 F 5.5331 9.4370 123.9736 55.7764 43.8452 175.1318 76 N 5.2467 9.2221 119.7075 51.8888 39.0436 175.8766 77 S 4.4302 8.6978 111.7021 61.0565 63.0764 174.9098 78 K 4.2617 8.3985 118.2937 55.9209 32.2330 177.0558 79 G 3.8255 8.4090 107.3692 45.6189 0.0000 173.3603 80 E 4.5115 8.6297 120.5017 54.6516 30.3110 176.4262 81 W 4.5882 8.9390 120.9623 56.6895 29.1273 175.4484 82 L 4.4641 8.9822 120.4862 55.7050 44.1836 176.2270 83 E 5.2022 7.9550 118.0983 54.6750 33.6242 174.1865 84 I 4.3088 9.1124 126.9534 59.6092 40.6185 174.0985 85 D 4.8738 9.0048 128.9774 52.5685 42.6600 175.5193 86 C 4.4088 9.1594 123.3827 58.7542 29.2037 176.2822 87 K 3.9913 8.5501 121.2786 56.7007 30.2248 175.8321 88 N 4.8327 8.9846 120.7707 53.3800 40.5941 174.5686 89 K 4.6282 7.9218 118.5299 54.2445 34.7372 175.3677 90 S 4.7982 8.3271 116.7062 58.2088 63.4464 174.7662 91 V 3.7583 8.7103 125.5154 62.4530 32.0815 174.0408 92 P 4.4129 0.0000 0.0000 62.9622 31.8720 177.7154 93 S 4.1728 8.8690 118.2847 61.1612 63.2442 176.2655 94 T 3.7522 7.5854 114.7510 64.5069 67.0807 174.5801 95 F 4.5878 7.6717 118.5221 58.5830 39.3013 175.4439 96 I 4.2417 7.3696 122.3421 59.0759 37.6610 174.5979 97 P 4.3026 0.0000 0.0000 62.4293 33.1432 176.9957 98 Q 4.1366 8.9121 122.6164 58.8620 29.1014 178.9050 99 A 4.0480 7.9032 121.1148 55.1376 18.2074 179.5625 100 I 3.3511 7.2670 117.4408 64.2125 37.4435 178.2213 101 S 4.2494 8.1869 115.3643 61.1210 62.8037 176.5133 102 K 3.9626 8.1818 123.2410 59.3903 32.0194 179.1332 103 Y 3.8956 7.7545 116.3316 58.2856 38.3374 177.3217 *105 K 4.1920 8.0291 120.7512 55.7965 33.9348 176.6929 106 A 4.1348 7.7337 120.3252 53.7770 18.6633 177.7103 107 N 4.4862 7.7697 110.7751 53.6804 41.1263 174.4053 108 Y 4.6740 7.3705 115.3078 56.9916 39.1163 174.8787 109 N 4.3905 8.0337 117.4026 54.9934 39.7283 175.0302 110 G 4.0484 8.8224 111.4837 45.9513 0.0000 173.1503 111 H 4.9236 7.7603 116.5664 54.9324 30.2668 174.9038 112 K 4.5238 9.3185 121.7989 55.5231 34.2053 175.9556 113 T 4.6444 8.5433 121.6614 63.5015 69.2305 175.4151 114 V 4.7996 8.9405 119.8683 60.7816 33.9062 175.7502 115 K 5.0694 7.7144 121.4248 55.0148 35.9002 174.2404 116 I 5.2383 8.9231 126.7272 59.2626 41.7697 173.3692 117 E 5.4908 9.5222 129.3674 54.3718 32.9450 174.4051 118 R 4.9767 8.8916 122.6262 54.5845 32.4769 174.3868 119 N 4.7545 8.6766 118.1930 51.5826 40.2814 174.9893 120 R 3.8694 8.4046 113.5439 58.5294 29.3257 177.3220 121 K 4.2835 9.9104 117.8739 56.2588 33.8581 175.6662 122 G 4.0736 6.1087 108.4910 44.9957 0.0000 171.7804 123 Y 5.3317 8.8724 121.2716 56.2219 42.3828 174.7426 124 E 5.1681 9.6430 121.9023 54.8294 33.3618 174.5233 125 L 5.1407 9.3418 125.7514 53.4116 44.1919 175.6336 126 T 4.9604 8.9547 121.2186 61.9514 70.8078 174.7041 127 L 5.2474 9.2825 126.9856 52.6705 43.3506 177.7898 128 E 3.9356 8.8861 118.2546 59.4382 29.3695 177.6752 129 N 4.5251 8.1091 113.9870 52.8036 37.7625 175.8049 130 G 3.9414 8.3551 108.5409 44.9412 0.0000 173.8025 131 L 4.0622 8.1103 122.9045 55.3784 43.4883 175.1316 132 E 5.0458 8.9202 126.8407 54.4411 32.1758 174.3758 133 V 4.4737 9.0734 127.6672 61.3654 33.7551 173.7917 134 D 5.3990 8.5832 128.5170 52.7698 43.0138 175.7143 135 F 5.2878 9.2429 121.4227 55.5212 43.6959 175.1309 136 D 5.3886 9.4040 121.2808 51.8795 40.7391 176.9635 137 Q 4.0278 8.4114 115.9807 58.3381 28.5575 176.6710 138 F 4.5112 8.2577 115.8075 57.2243 39.5493 176.3895 139 G 3.8873 8.5449 109.2959 45.4242 0.0000 173.7950 140 G 3.8948 8.9001 110.1842 44.4065 0.0000 173.7918 141 F 3.8011 8.8172 126.7787 58.4808 39.9477 173.2759 142 L 4.3403 7.1403 126.8889 54.5660 43.0870 176.5424 143 K 3.9100 5.9103 114.5888 55.9907 35.2932 173.1998 144 L 4.8617 8.6539 121.3261 54.6069 42.7554 177.0217 145 S 4.4744 9.1039 117.9954 58.0383 66.8198 173.9858 146 D 4.2028 8.5163 118.6224 54.3586 38.6788 175.0651 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 20 A 8.25 4.25 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 21 G 7.78 3.76 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 0.00 0.00 0.00 22 D 9.08 4.89 0.00 2.59 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 23 V 8.60 4.55 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 0.72 0.00 0.00 0.95 0.00 0.00 24 V 8.26 4.97 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 0.75 0.00 0.00 0.88 0.00 0.00 25 T 8.94 4.76 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 26 R 8.69 4.35 0.00 1.87 1.99 0.00 3.30 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.65 0.00 27 D 8.03 4.60 0.00 2.79 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.24 3.74 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 0.79 0.00 0.00 0.92 0.00 0.00 29 N 8.10 4.50 0.00 3.04 2.87 0.00 0.00 6.97 7.29 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 30 K 7.85 4.27 0.00 1.92 1.93 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.59 7.81 31 L 7.33 3.91 0.00 1.60 1.20 0.78 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.18 0.00 1.90 1.84 0.00 2.69 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 33 V 8.37 3.49 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 1.10 0.00 0.00 0.89 0.00 0.00 34 A 7.83 3.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.40 3.54 0.23 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 36 R 7.65 3.98 0.00 1.96 1.94 0.00 3.08 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 37 E 8.22 4.28 0.00 2.13 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 2.52 2.49 0.00 *39 I 7.85 4.47 2.06 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 1.51 0.88 1.01 0.00 0.00 40 G 8.25 3.65 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 0.00 0.00 0.00 41 K 8.29 4.02 0.00 1.74 1.79 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.93 1.24 7.81 42 H 8.09 4.59 0.00 3.21 2.89 0.00 5.70 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.25 5.55 0.00 3.25 3.01 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 0.00 0.00 0.00 0.00 44 S 8.22 4.38 0.00 3.98 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 45 Q 8.05 4.18 0.00 2.25 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.61 0.00 0.00 0.00 0.00 0.00 2.48 2.34 0.00 46 T 7.71 4.85 4.39 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 1.34 0.00 0.00 47 K 8.06 4.55 0.00 1.94 1.87 0.00 1.56 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.40 1.43 7.81 48 V 8.18 3.85 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 0.78 0.00 0.00 0.92 0.00 0.00 49 A 9.01 4.50 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 50 Y 7.00 5.08 0.00 3.06 3.06 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 51 I 9.22 5.07 2.00 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 1.29 0.77 1.14 0.00 0.00 52 K 9.53 4.92 0.00 1.73 1.77 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.67 7.81 53 I 9.08 4.59 1.85 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.01 0.69 0.00 0.00 54 E 8.78 5.34 0.00 1.81 1.75 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 2.33 2.06 0.00 55 K 8.83 5.05 0.00 1.58 1.67 0.00 1.87 0.00 0.00 1.93 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.35 7.81 56 D 8.52 4.82 0.00 2.91 2.85 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 57 L 8.20 3.91 0.00 1.47 1.63 -0.30 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 58 F 8.42 4.67 0.00 3.16 3.01 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 0.00 0.00 0.00 0.00 59 Q 8.10 3.65 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.68 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 60 T 8.02 4.59 4.70 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 1.23 0.00 0.00 61 T 8.42 4.83 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 0.81 0.00 0.00 62 S 8.91 4.94 0.00 4.02 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 63 Y 9.07 5.02 0.00 3.19 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 64 D 9.42 5.35 0.00 2.63 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 65 V 9.19 4.78 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 1.02 0.00 0.00 1.18 0.00 0.00 66 K 8.31 4.58 0.00 1.12 0.74 0.00 1.44 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.99 1.12 7.81 67 L 8.76 4.78 0.00 1.59 1.49 0.62 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.80 3.91 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 69 D 7.66 4.54 0.00 2.77 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 70 G 8.19 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 71 I 7.82 3.94 1.75 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.57 0.55 0.00 0.00 72 E 8.87 5.03 0.00 1.80 1.72 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 2.12 2.36 0.00 73 L 8.82 5.00 0.00 1.43 0.93 0.67 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.77 5.17 0.00 1.93 1.67 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 0.00 2.22 2.70 0.00 75 F 9.44 5.53 0.00 3.16 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 76 N 9.22 5.25 0.00 2.97 3.02 0.00 0.00 6.89 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 77 S 8.70 4.43 0.00 4.09 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 78 K 8.40 4.26 0.00 1.92 1.90 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.40 1.45 7.81 79 G 8.41 3.83 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 0.00 0.00 0.00 80 E 8.63 4.51 0.00 2.15 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 2.35 2.29 0.00 81 W 8.94 4.59 0.00 3.19 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 82 L 8.98 4.46 0.00 1.52 1.66 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 83 E 7.96 5.20 0.00 2.00 1.68 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 0.00 2.22 2.45 0.00 84 I 9.11 4.31 1.33 0.00 0.00 -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 0.30 -0.15 0.59 0.00 0.00 85 D 9.00 4.87 0.00 2.59 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 86 C 9.16 4.41 0.00 3.26 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 87 K 8.55 3.99 0.00 1.92 1.71 0.00 1.67 0.00 0.00 1.86 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.52 7.81 88 N 8.98 4.83 0.00 2.69 2.82 0.00 0.00 6.71 7.61 0.00 0.00 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 K 7.92 4.63 0.00 1.83 1.72 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.39 7.81 90 S 8.33 4.80 0.00 3.77 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 91 V 8.71 3.76 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 0.75 0.00 0.00 0.92 0.00 0.00 92 P 0.00 4.41 0.00 2.06 1.84 0.00 3.89 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.00 0.00 93 S 8.87 4.17 0.00 3.97 4.10 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 94 T 7.59 3.75 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 0.19 0.00 0.00 95 F 7.67 4.59 0.00 3.03 2.59 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 96 I 7.37 4.24 1.85 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.56 0.82 0.00 0.00 97 P 0.00 4.30 0.00 1.82 1.80 0.00 3.17 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 0.98 1.83 0.00 98 Q 8.91 4.14 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.43 1.87 0.00 99 A 7.90 4.05 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 0.00 100 I 7.27 3.35 1.57 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.09 0.14 0.00 0.00 101 S 8.19 4.25 0.00 4.03 4.10 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 0.00 102 K 8.18 3.96 0.00 1.97 2.11 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.46 7.81 103 Y 7.75 3.90 0.00 3.40 3.26 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 *105 K 8.03 4.19 0.00 1.85 2.02 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.49 7.81 106 A 7.73 4.13 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 107 N 7.77 4.49 0.00 2.42 1.81 0.00 0.00 6.77 7.62 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 0.00 108 Y 7.37 4.67 0.00 3.02 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 0.00 109 N 8.03 4.39 0.00 2.98 2.68 0.00 0.00 7.29 7.98 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 0.00 110 G 8.82 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 0.00 0.00 0.00 111 H 7.76 4.92 0.00 3.27 3.33 0.00 5.84 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 0.00 112 K 9.32 4.52 0.00 1.69 1.74 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.43 7.81 113 T 8.54 4.64 4.28 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 1.27 0.00 0.00 114 V 8.94 4.80 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 1.08 0.00 0.00 1.02 0.00 0.00 115 K 7.71 5.07 0.00 1.77 1.59 0.00 1.65 0.00 0.00 1.87 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.56 7.81 116 I 8.92 5.24 1.93 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.24 0.76 0.00 0.00 117 E 9.52 5.49 0.00 2.07 1.76 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 2.20 2.36 0.00 118 R 8.89 4.98 0.00 1.00 1.57 0.00 2.50 0.00 0.00 2.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.94 0.00 119 N 8.68 4.75 0.00 2.77 2.84 0.00 0.00 6.61 7.36 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 0.00 120 R 8.40 3.87 0.00 1.84 2.00 0.00 2.93 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 121 K 9.91 4.28 0.00 1.87 1.83 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.34 1.32 7.81 122 G 6.11 4.07 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 0.00 0.00 0.00 123 Y 8.87 5.33 0.00 3.05 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 0.00 124 E 9.64 5.17 0.00 1.89 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 2.41 2.29 0.00 125 L 9.34 5.14 0.00 1.79 1.67 1.04 0.46 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 0.00 126 T 8.95 4.96 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 1.22 0.00 0.00 127 L 9.28 5.25 0.00 1.79 1.66 0.99 0.88 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 0.00 128 E 8.89 3.94 0.00 2.07 2.10 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 2.26 2.22 0.00 129 N 8.11 4.53 0.00 2.87 2.96 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 0.00 130 G 8.36 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 0.00 131 L 8.11 4.06 0.00 2.11 1.55 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 132 E 8.92 5.05 0.00 2.08 1.84 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 2.32 2.23 0.00 133 V 9.07 4.47 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 0.81 0.00 0.00 0.52 0.00 0.00 134 D 8.58 5.40 0.00 2.44 2.38 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.24 5.29 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 0.00 136 D 9.40 5.39 0.00 2.97 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 0.00 137 Q 8.41 4.03 0.00 1.73 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.92 0.00 0.00 0.00 0.00 0.00 1.16 1.63 0.00 138 F 8.26 4.51 0.00 3.30 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 0.00 139 G 8.54 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 0.00 140 G 8.90 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 0.00 141 F 8.82 3.80 0.00 1.90 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 0.00 142 L 7.14 4.34 0.00 1.19 1.37 0.84 0.77 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 0.00 143 K 5.91 3.91 0.00 1.64 1.63 0.00 1.41 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.04 1.18 7.81 144 L 8.65 4.86 0.00 1.64 1.68 1.11 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 145 S 9.10 4.47 0.00 3.75 3.83 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 0.00 146 D 8.52 4.20 0.00 2.74 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 * Residues marked with a * may have inaccurate shift predictions.