NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4912 8.1076 122.4659 52.5005 20.1339 175.4865 3 Q 4.6819 8.4123 118.6939 55.5670 30.8574 171.5032 4 K 4.5283 9.1062 121.9429 55.5330 36.7356 175.8933 5 T 4.8254 8.3286 123.7259 62.8902 69.5164 174.1729 6 F 4.7143 9.0313 125.2585 55.8207 42.2953 174.8170 7 K 4.7954 8.4244 120.4879 55.0088 34.6028 175.6365 8 V 4.1658 8.4042 125.2379 62.1190 32.4492 175.8773 9 T 4.8108 8.2586 123.6798 63.2077 69.3434 174.4191 10 A 4.2581 8.0566 124.5975 51.7284 19.4821 179.1511 11 D 4.3218 8.6829 120.4723 57.4489 41.5593 178.2068 12 S 4.1958 7.9370 112.0469 59.4926 63.9692 174.0103 13 G 3.9032 7.3240 103.6979 45.1729 0.0000 173.4327 14 I 3.9974 7.8379 123.6008 59.6635 37.8219 174.7866 *16 A 4.3411 8.3931 128.7091 52.0900 20.1199 178.3152 17 R 3.8496 8.1018 115.2571 59.3742 30.1314 176.8143 18 P 4.3228 0.0000 0.0000 65.4388 31.6293 177.9447 19 A 4.0543 7.8212 119.9434 54.7395 18.0068 179.1951 20 T 4.0302 7.7616 114.5163 66.0927 68.2664 177.4129 21 V 3.6163 7.4495 119.3800 65.6427 31.5204 178.2444 22 L 3.9684 7.8393 118.7870 57.8041 41.5583 179.6204 23 V 3.6718 7.6167 118.6605 65.0972 30.7354 178.4334 24 Q 4.0189 7.5998 117.6176 59.4008 28.9165 178.0638 25 T 4.0584 7.7008 116.3295 66.2946 68.6815 176.5075 26 A 4.3327 8.4097 122.9773 55.3046 18.2224 179.8583 27 S 4.1095 7.6976 113.0270 61.9083 63.0148 176.7539 28 K 3.9723 7.7943 119.5405 57.9383 31.9240 177.0000 29 Y 4.4411 7.0770 116.7707 56.9377 38.6673 175.6313 30 D 4.4754 8.9206 124.0184 56.2445 41.4880 176.7206 31 A 4.0936 7.9463 120.4038 52.5130 19.1385 177.8530 32 D 4.6622 8.5379 120.8767 53.4129 40.5328 174.2409 33 V 4.7723 7.7863 114.8231 59.6305 33.6148 174.5078 34 N 5.4377 8.7146 122.1177 51.3581 42.6743 173.4563 35 L 4.9485 8.4096 123.6736 53.9318 44.9484 174.5985 36 E 5.2102 8.6127 123.6408 54.6936 33.0101 174.1268 37 Y 4.7543 9.0068 125.5916 57.3476 43.0041 174.1162 38 N 3.7266 8.8809 123.3019 54.2534 36.1362 174.2236 39 G 3.8435 8.3039 102.8682 46.5090 0.0000 174.4509 40 K 4.3849 7.9279 118.8375 54.5180 34.7013 175.7536 41 T 4.9825 8.4706 121.4832 61.8884 69.2294 174.6445 42 V 4.4734 8.1057 120.0116 59.0557 34.7355 175.1330 43 N 5.2591 8.6036 122.5412 53.0762 38.7895 174.7278 44 L 3.9801 8.4383 128.1741 57.9017 42.7596 177.5929 45 K 4.4201 7.8174 119.0002 55.4162 31.5626 179.0057 46 S 4.5429 7.2433 113.4604 55.7698 63.7125 173.6664 47 I 3.7364 8.0557 126.7442 64.0317 36.9919 177.1462 48 M 4.2845 7.9960 117.6082 58.0852 32.5103 177.9913 49 G 3.7175 7.8907 105.7648 47.4685 0.0000 175.7874 50 V 3.7622 7.8051 120.2004 65.5161 31.5042 178.2763 51 V 3.6229 7.4397 117.6152 65.8136 31.0604 178.0945 52 S 4.1795 7.5356 112.0363 61.2259 62.7900 176.3666 53 L 4.2173 7.7085 121.8744 56.2131 42.8091 177.2331 54 G 3.8127 7.3475 104.1118 46.4668 0.0000 173.4534 55 I 3.6116 6.8426 119.7451 61.1046 38.6004 176.2473 56 A 4.7708 7.8216 124.0716 50.7742 21.7557 175.5480 57 K 4.1771 8.5395 114.8308 58.0101 33.6730 176.7935 58 G 3.6920 8.9881 108.1414 46.3773 0.0000 171.9565 59 A 4.9573 7.6965 119.1051 50.2256 23.6513 175.4737 60 E 5.2373 8.9011 116.4509 54.9187 33.7839 175.8615 61 I 5.0917 8.5897 113.8783 59.7733 41.8361 174.0139 62 T 4.8194 8.7204 120.7820 62.1627 71.0564 173.2938 63 I 5.0683 8.5249 127.5046 59.9746 40.4833 175.6391 64 S 4.7140 8.5969 119.1129 57.3850 65.8515 172.7362 65 A 4.6854 8.5161 127.8129 51.0566 20.0498 177.0054 66 S 4.9860 8.0647 117.9940 56.2590 65.9130 173.2968 67 G 4.1219 8.2411 119.2154 46.3474 0.0000 171.7713 68 A 4.1842 8.3295 125.4680 53.3092 19.7441 178.0462 69 D 4.8935 7.6386 114.8459 52.6135 39.1364 178.2811 70 E 3.9925 8.0159 120.0149 60.6286 29.4180 178.0661 71 N 4.3535 8.0622 116.9620 56.1424 38.2628 176.9563 72 D 5.1587 8.2121 120.8518 56.3292 41.0837 178.5142 73 A 2.5800 7.4169 121.4201 54.1592 18.3720 179.4985 74 L 3.9173 7.4111 118.8031 59.0837 40.5119 179.2833 75 N 4.4551 7.8724 116.4417 55.0242 36.9470 177.1719 76 A 3.9556 7.2886 122.7824 55.3138 18.6111 179.6745 77 L 3.9009 7.7041 116.8254 57.4355 41.6108 179.4646 78 E 4.0703 7.8772 119.8132 59.4155 29.7740 178.7599 79 E 4.0763 8.1852 117.3108 59.7360 29.0571 179.2004 80 T 3.9583 7.5817 116.4950 66.6883 68.5322 176.6590 81 M 4.1876 8.0013 120.5918 57.8653 31.7378 178.5469 82 K 4.2275 7.7128 117.3999 58.2062 32.4660 179.2312 83 S 4.2514 7.7211 114.2967 61.4117 63.1194 175.7307 84 E 4.3345 7.4297 119.6966 57.4892 30.3490 177.4718 85 G 4.3321 7.8206 107.1114 46.0029 0.0000 174.7931 86 L 4.1972 8.2736 120.9431 57.0902 43.2467 177.7573 87 G 4.6529 7.7844 102.8198 46.4421 0.0000 173.5930 88 E 4.5568 8.6907 117.2721 56.4368 29.5192 175.5187 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 2 A 8.11 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 8.41 4.68 0.00 2.28 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.61 0.00 0.00 0.00 0.00 0.00 2.08 2.42 0.00 4 K 9.11 4.53 0.00 1.79 1.51 0.00 0.61 0.00 0.00 1.03 0.00 0.00 2.61 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 1.33 7.81 5 T 8.33 4.83 4.17 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 1.28 0.00 0.00 6 F 9.03 4.71 0.00 3.08 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 7 K 8.42 4.80 0.00 1.71 1.75 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.37 7.81 8 V 8.40 4.17 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 0.92 0.00 0.00 0.97 0.00 0.00 9 T 8.26 4.81 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 10 A 8.06 4.26 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 11 D 8.68 4.32 0.00 2.65 2.70 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 12 S 7.94 4.20 0.00 4.00 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 13 G 7.32 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 14 I 7.84 4.00 1.67 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 1.19 0.80 0.81 0.00 0.00 *16 A 8.39 4.34 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 17 R 8.10 3.85 0.00 1.91 1.93 0.00 3.22 0.00 0.00 3.38 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 18 P 0.00 4.32 0.00 2.25 2.25 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.18 0.00 19 A 7.82 4.05 1.33 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 0.00 0.00 0.00 20 T 7.76 4.03 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 1.20 0.00 0.00 21 V 7.45 3.62 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 0.97 0.00 0.00 0.99 0.00 0.00 22 L 7.84 3.97 0.00 1.72 1.62 0.85 0.56 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 23 V 7.62 3.67 2.14 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 0.95 0.00 0.00 0.93 0.00 0.00 24 Q 7.60 4.02 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.01 0.00 0.00 0.00 0.00 0.00 2.39 2.71 0.00 25 T 7.70 4.06 4.38 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 1.37 0.00 0.00 26 A 8.41 4.33 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 27 S 7.70 4.11 0.00 4.00 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 28 K 7.79 3.97 0.00 1.55 1.37 0.00 1.52 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.32 1.39 7.81 29 Y 7.08 4.44 0.00 3.17 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 30 D 8.92 4.48 0.00 2.70 2.75 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 31 A 7.95 4.09 1.25 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 0.00 0.00 0.00 32 D 8.54 4.66 0.00 2.86 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 33 V 7.79 4.77 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 1.31 0.00 0.00 0.92 0.00 0.00 34 N 8.71 5.44 0.00 2.61 2.80 0.00 0.00 6.70 6.75 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 35 L 8.41 4.95 0.00 1.74 1.52 0.85 0.78 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 36 E 8.61 5.21 0.00 2.19 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 2.21 2.23 0.00 37 Y 9.01 4.75 0.00 3.16 2.81 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 38 N 8.88 3.73 0.00 2.81 2.81 0.00 0.00 7.03 7.59 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 39 G 8.30 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 40 K 7.93 4.38 0.00 2.10 1.73 0.00 1.53 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.43 7.81 41 T 8.47 4.98 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 1.29 0.00 0.00 42 V 8.11 4.47 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 0.98 0.00 0.00 0.95 0.00 0.00 43 N 8.60 5.26 0.00 2.74 2.73 0.00 0.00 7.27 7.79 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 44 L 8.44 3.98 0.00 1.84 1.69 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.82 4.42 0.00 1.81 1.78 0.00 1.63 0.00 0.00 1.86 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.42 7.81 46 S 7.24 4.54 0.00 3.89 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.06 3.74 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.67 0.93 0.00 0.00 48 M 8.00 4.28 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.66 0.00 49 G 7.89 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 V 7.81 3.76 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 1.03 0.00 0.00 0.94 0.00 0.00 51 V 7.44 3.62 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 0.94 0.00 0.00 0.97 0.00 0.00 52 S 7.54 4.18 0.00 4.13 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 L 7.71 4.22 0.00 1.77 1.92 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.35 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 0.00 0.00 0.00 55 I 6.84 3.61 1.61 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.67 0.44 0.00 0.00 56 A 7.82 4.77 1.22 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 0.00 0.00 57 K 8.54 4.18 0.00 1.89 2.06 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.39 7.81 58 G 8.99 3.69 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 0.00 59 A 7.70 4.96 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 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.90 5.24 0.00 1.83 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 2.22 2.38 0.00 61 I 8.59 5.09 1.98 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 1.50 0.92 1.04 0.00 0.00 62 T 8.72 4.82 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 1.24 0.00 0.00 63 I 8.52 5.07 2.24 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.28 0.96 0.00 0.00 64 S 8.60 4.71 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 65 A 8.52 4.69 1.21 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 0.00 0.00 66 S 8.06 4.99 0.00 3.72 3.77 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 67 G 8.24 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 0.00 0.00 0.00 0.00 68 A 8.33 4.18 1.27 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 69 D 7.64 4.89 0.00 3.28 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 70 E 8.02 3.99 0.00 2.29 2.36 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 2.37 2.41 0.00 71 N 8.06 4.35 0.00 2.79 2.89 0.00 0.00 7.18 8.08 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 72 D 8.21 5.16 0.00 3.07 2.98 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 73 A 7.42 2.58 1.02 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 0.00 0.00 74 L 7.41 3.92 0.00 1.96 1.94 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 75 N 7.87 4.46 0.00 2.99 3.11 0.00 0.00 6.91 7.91 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 76 A 7.29 3.96 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 77 L 7.70 3.90 0.00 1.50 1.51 0.82 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 78 E 7.88 4.07 0.00 2.46 2.26 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 2.43 2.65 0.00 79 E 8.19 4.08 0.00 2.29 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 0.00 2.54 2.43 0.00 80 T 7.58 3.96 4.35 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 1.20 0.00 0.00 81 M 8.00 4.19 0.00 2.35 2.33 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 2.35 2.61 0.00 82 K 7.71 4.23 0.00 1.77 1.89 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.51 7.81 83 S 7.72 4.25 0.00 4.06 4.14 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 84 E 7.43 4.33 0.00 2.00 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 2.29 2.31 0.00 85 G 7.82 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 0.00 0.00 0.00 0.00 86 L 8.27 4.20 0.00 1.59 1.69 0.94 0.84 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 87 G 7.78 4.65 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 88 E 8.69 4.56 0.00 1.93 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 0.00 2.20 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.