NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.6584 8.3577 116.1928 58.3468 64.1777 174.5490 3 K 4.0030 7.7686 121.6238 54.1903 32.7679 176.5141 4 L 5.0054 9.0811 122.9693 53.3929 44.3437 175.7001 5 T 4.6534 8.5787 119.8079 61.5574 71.6203 173.5486 6 V 4.0805 8.5060 126.5309 62.7114 32.5055 174.9993 7 V 4.3364 8.4811 127.8680 61.4802 32.8744 175.5580 8 A 4.6945 8.4288 128.9080 50.2873 19.8360 174.6898 9 S 4.3926 9.7873 116.5863 57.8552 63.2210 173.3640 10 P 4.3195 0.0000 0.0000 63.7507 31.7035 176.6700 11 L 3.9330 7.6982 118.6582 55.8943 42.3203 176.9537 12 A 4.6226 7.0648 120.1653 50.1283 19.6317 175.1185 13 P 4.3404 0.0000 0.0000 62.7375 31.8904 176.6074 14 E 4.0056 8.6051 122.0032 56.0782 30.1936 176.6442 15 A 4.4231 8.2665 127.7781 50.9131 18.3961 176.7531 16 V 4.2861 8.0131 111.8809 61.4995 33.4116 177.1317 17 G 4.0997 7.1610 109.2674 45.6300 0.0000 173.8837 18 A 4.4930 8.7086 129.3547 52.0657 18.6495 176.2208 19 Y 4.9271 6.8544 114.9957 57.0056 41.1520 174.1797 20 S 4.8710 8.3688 115.8195 56.5916 65.7130 174.4477 21 Q 4.4385 8.7535 121.7200 59.3439 29.5420 176.4487 22 A 5.1233 7.7709 117.4305 51.1063 23.0302 175.0108 23 I 5.0531 8.7038 119.6408 59.6477 40.9770 174.9303 24 I 4.6670 8.7726 128.0483 60.5120 38.8496 174.6332 25 C 4.9996 8.9090 125.8247 58.9296 34.2066 173.3200 26 N 4.1199 9.9532 124.0112 54.5338 36.1731 174.0142 27 G 3.2754 7.7618 98.7767 46.4870 0.0000 173.5602 *29 V 4.2591 7.5618 118.1082 62.7189 33.4535 173.5715 30 Y 4.7086 9.1254 126.7955 56.8093 39.7500 174.4340 31 C 5.1360 8.8483 123.3641 58.1006 30.0738 174.2846 32 S 4.4222 8.8921 120.2786 58.5843 63.6101 174.7556 33 G 3.7384 8.5144 108.8930 46.3460 0.0000 173.4139 34 Q 4.4804 9.2165 127.6360 55.3735 30.2011 176.0683 35 I 4.8162 8.3851 116.3761 58.4198 41.5371 174.8110 36 G 4.4296 8.5274 107.2545 46.7434 0.0000 173.8091 37 L 4.5249 7.8924 119.8718 54.2321 43.0520 176.9881 38 D 4.6973 8.7855 123.0580 52.6775 41.4463 176.9772 39 R 3.9016 8.9849 126.9840 59.5159 30.2726 178.4781 40 K 4.1348 8.5308 116.7954 58.6623 32.1067 177.7064 41 T 4.2913 7.2748 103.6812 60.3979 70.2134 175.2408 42 G 3.8911 8.3062 108.9749 46.0399 0.0000 172.5426 43 D 4.8994 7.7631 118.5366 51.3329 42.9214 175.5012 44 F 4.4878 8.3257 118.5139 57.7231 39.3885 176.8800 45 A 4.2583 9.0216 127.5514 55.1059 18.3418 177.4734 46 G 3.9870 7.2090 103.5706 46.1225 0.0000 174.0702 47 K 4.1422 8.7795 119.7123 55.6968 32.2835 175.1316 48 T 4.5478 7.7098 108.1990 61.0269 71.7527 175.5134 49 I 3.6468 8.1197 121.3155 64.2353 38.0094 177.9786 50 E 3.9663 8.0805 118.9240 59.4825 29.5505 178.9658 51 E 3.9989 8.1230 118.5278 59.6623 29.4679 179.5849 52 Q 4.1270 8.3740 118.1947 58.9574 28.7888 178.8324 53 S 4.2870 8.5236 116.6491 61.6231 62.9284 176.9030 54 K 3.9521 8.1599 121.1484 59.4557 31.7302 179.2081 55 Q 3.9524 8.0585 119.6066 59.0514 28.9167 178.3283 56 V 3.6220 8.1361 119.5852 66.5339 31.5888 178.0330 57 M 3.9819 8.1515 118.2424 58.3983 31.7266 178.9467 58 T 3.4887 7.8344 116.0511 66.4531 68.5907 176.3356 59 N 4.3806 8.3323 118.7239 56.3395 38.5087 177.2916 60 L 3.9894 8.0099 120.3980 57.7476 41.6415 179.4697 61 K 3.7851 7.7529 119.3486 59.7212 32.0879 178.2975 62 Y 4.3619 7.7039 116.8779 61.1940 37.8991 178.9384 63 V 3.6652 7.9944 119.0215 65.9796 31.5993 178.0110 64 L 4.0134 8.2150 118.9766 57.9287 41.5119 179.3404 65 E 4.1010 8.5047 118.7487 59.5588 29.2099 179.1145 66 E 3.9866 8.1994 117.8427 58.9851 29.7664 178.0675 67 A 4.2900 7.7371 118.7165 52.6607 18.6677 178.1984 68 G 3.8692 8.0160 105.4497 45.3669 0.0000 173.7050 69 S 4.9701 7.5282 115.5083 57.8003 64.5276 172.7051 70 S 4.5938 8.0009 110.6575 57.9295 65.3071 175.8454 71 M 4.1265 8.4945 120.5850 58.7751 31.7054 178.7053 72 D 4.2020 7.5533 116.5205 56.1589 41.2437 177.0605 73 K 4.3221 7.7906 118.0965 55.8921 32.4391 176.2819 74 V 4.0982 7.6643 120.6529 63.0758 32.0777 175.9325 75 V 4.1853 8.7785 120.5795 62.8104 33.5362 176.0079 76 K 5.2138 7.7399 120.0561 55.3347 35.8165 174.8172 77 T 5.3252 9.0552 116.2980 60.2627 72.8888 172.6625 78 T 5.1622 8.8326 118.2825 62.0708 72.4603 172.7663 79 C 4.8947 9.2117 124.3344 58.0110 30.9635 172.7864 80 L 4.3902 8.6029 125.0391 52.6100 43.5834 175.8433 81 L 4.9658 8.1831 123.1418 52.6917 44.4029 177.5892 82 A 4.0040 8.6375 124.0948 54.4143 19.3219 177.7847 83 D 4.4817 7.7531 115.1988 51.7661 44.0737 175.5740 84 I 3.6883 8.5862 126.8062 64.0792 37.6990 177.5313 85 K 4.2296 8.5753 118.4774 58.5341 32.1142 177.9286 86 D 4.6679 8.3024 118.5513 54.7071 40.7745 177.7394 87 F 4.3680 8.3738 123.3553 61.3598 39.4089 177.1708 88 G 3.4907 8.1523 104.6630 47.7435 0.0000 175.5951 89 V 3.5241 7.7172 120.6673 65.5629 31.5737 177.4967 90 F 4.0255 8.3133 120.4632 61.4239 39.0830 176.5924 91 N 3.8599 8.3130 117.0146 56.3348 38.6377 176.9919 92 G 3.5440 7.8462 107.1633 47.8913 0.0000 175.7809 93 I 3.6690 7.4218 121.6943 63.9983 37.0860 177.7787 94 Y 3.8229 7.7531 120.5236 60.6577 38.5675 178.1705 95 A 4.0520 8.2939 121.8704 55.0418 18.2473 179.0740 96 E 3.8020 7.9238 116.6207 59.4838 29.7724 178.6288 97 A 3.9138 7.6553 119.3243 54.8394 18.7163 178.9227 98 F 4.3772 8.1664 114.7414 57.0683 39.5255 177.2999 99 G 3.7444 8.2176 107.3050 47.1869 0.0000 175.2751 100 N 4.5877 8.8211 121.3792 53.8791 38.8651 174.4557 101 H 4.5301 8.0311 119.4363 55.7546 30.5407 175.4496 102 K 4.3100 7.6459 124.8913 53.1281 32.4608 174.0174 103 P 4.3676 0.0000 0.0000 61.9245 32.5174 175.7368 104 A 4.2586 8.4533 123.1859 52.7752 19.6073 176.5991 105 R 5.1576 8.1783 117.5712 55.2619 33.3318 174.0399 106 A 4.9323 8.8667 125.6484 50.4979 22.6214 174.7947 107 C 5.8788 8.8223 117.4702 57.2725 32.4556 173.1785 108 F 4.8104 7.9887 114.2069 56.1318 40.7516 172.2455 109 A 4.8616 8.6189 121.7139 50.8560 19.5395 177.3159 110 A 4.4902 8.6829 125.1050 51.2858 19.1372 177.6371 111 A 4.0036 8.7988 122.0446 55.1853 18.7526 177.9433 112 A 4.4336 7.2106 114.2268 51.7241 21.7839 175.0351 113 L 4.8749 7.7910 118.6899 51.7008 45.3881 174.6907 114 P 4.2645 0.0000 0.0000 64.4088 31.6513 177.2746 115 K 3.8553 9.4346 119.5373 57.0293 29.4488 176.4563 116 G 3.8213 8.1371 105.2049 45.9209 0.0000 174.4320 117 A 3.6666 7.8785 121.7997 52.1767 18.9092 178.5350 118 L 4.4337 8.8653 120.1786 56.1392 43.0329 177.1294 119 V 4.7465 7.2905 116.3153 60.5058 34.1814 172.9648 120 E 4.9358 9.0742 123.8013 54.6820 33.5053 174.0500 121 V 4.9996 8.8638 125.9309 61.2408 34.9392 174.2189 122 E 5.3653 8.8909 125.9376 55.3081 32.9273 174.1637 123 C 5.1559 8.2313 112.8016 57.6022 33.6928 172.3144 124 I 4.9243 8.8272 119.2319 59.2141 40.6382 173.9200 125 A 5.1524 8.6328 129.1365 50.6420 22.6077 174.8956 126 T 4.5886 8.2817 113.6384 60.1605 69.4239 174.8262 127 L 4.1792 8.2940 125.2973 55.1735 41.5817 177.1593 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 S 8.36 4.66 0.00 3.88 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 3 K 7.77 4.00 0.00 1.85 1.60 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.09 7.81 4 L 9.08 5.01 0.00 1.50 1.63 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.58 4.65 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 1.23 0.00 0.00 6 V 8.51 4.08 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 0.74 0.00 0.00 0.94 0.00 0.00 7 V 8.48 4.34 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 0.87 0.00 0.00 1.01 0.00 0.00 8 A 8.43 4.69 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 9 S 9.79 4.39 0.00 3.84 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 10 P 0.00 4.32 0.00 2.15 2.10 0.00 3.74 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.92 0.00 11 L 7.70 3.93 0.00 0.67 0.27 0.55 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.06 4.62 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 13 P 0.00 4.34 0.00 2.10 2.02 0.00 3.87 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 14 E 8.61 4.01 0.00 1.91 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 2.25 2.28 0.00 15 A 8.27 4.42 1.18 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 0.00 0.00 16 V 8.01 4.29 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 0.90 0.00 0.00 17 G 7.16 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 0.00 0.00 0.00 18 A 8.71 4.49 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 19 Y 6.85 4.93 0.00 3.05 2.93 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 20 S 8.37 4.87 0.00 3.92 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 21 Q 8.75 4.44 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 22 A 7.77 5.12 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 23 I 8.70 5.05 1.96 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 1.30 1.14 0.95 0.00 0.00 24 I 8.77 4.67 1.92 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 1.16 0.99 0.95 0.00 0.00 25 C 8.91 5.00 0.00 3.00 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 26 N 9.95 4.12 0.00 2.99 2.87 0.00 0.00 7.13 7.92 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 27 G 7.76 3.28 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 0.00 *29 V 7.56 4.26 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 1.08 0.00 0.00 0.93 0.00 0.00 30 Y 9.13 4.71 0.00 2.95 2.94 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 31 C 8.85 5.14 0.00 3.06 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 32 S 8.89 4.42 0.00 3.92 3.78 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 33 G 8.51 3.74 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 0.00 0.00 0.00 34 Q 9.22 4.48 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 35 I 8.39 4.82 2.10 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 1.29 0.89 1.01 0.00 0.00 36 G 8.53 4.43 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 0.00 37 L 7.89 4.52 0.00 1.48 1.47 0.76 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.79 4.70 0.00 2.74 2.55 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 0.00 0.00 0.00 0.00 39 R 8.98 3.90 0.00 1.98 1.97 0.00 3.27 0.00 0.00 3.57 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.71 0.00 40 K 8.53 4.13 0.00 1.90 1.86 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.37 7.81 41 T 7.27 4.29 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 1.22 0.00 0.00 42 G 8.31 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 43 D 7.76 4.90 0.00 2.68 2.56 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 0.00 0.00 0.00 0.00 44 F 8.33 4.49 0.00 3.12 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 45 A 9.02 4.26 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 0.00 0.00 0.00 0.00 0.00 46 G 7.21 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 47 K 8.78 4.14 0.00 1.79 1.73 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.34 0.99 7.81 48 T 7.71 4.55 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 1.24 0.00 0.00 49 I 8.12 3.65 1.99 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 1.70 1.54 0.99 0.00 0.00 50 E 8.08 3.97 0.00 2.10 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 2.40 2.46 0.00 51 E 8.12 4.00 0.00 2.19 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 2.35 2.37 0.00 52 Q 8.37 4.13 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.61 0.00 53 S 8.52 4.29 0.00 3.95 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 54 K 8.16 3.95 0.00 1.96 1.83 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.53 7.81 55 Q 8.06 3.95 0.00 2.34 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.60 2.49 0.00 56 V 8.14 3.62 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 1.22 0.00 0.00 1.09 0.00 0.00 57 M 8.15 3.98 0.00 1.84 1.96 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.94 0.00 58 T 7.83 3.49 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 0.67 0.00 0.00 59 N 8.33 4.38 0.00 2.89 3.05 0.00 0.00 7.06 6.29 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 60 L 8.01 3.99 0.00 1.75 1.70 1.06 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.75 3.79 0.00 1.61 1.69 0.00 1.47 0.00 0.00 1.46 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.39 7.81 62 Y 7.70 4.36 0.00 3.21 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 63 V 7.99 3.67 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 1.09 0.00 0.00 1.14 0.00 0.00 64 L 8.21 4.01 0.00 1.86 1.79 1.02 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.50 4.10 0.00 2.21 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 2.35 2.48 0.00 66 E 8.20 3.99 0.00 2.08 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 0.00 2.41 2.39 0.00 67 A 7.74 4.29 1.42 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 0.00 0.00 0.00 68 G 8.02 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 69 S 7.53 4.97 0.00 3.81 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 70 S 8.00 4.59 0.00 3.97 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 71 M 8.49 4.13 0.00 1.90 2.08 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 72 D 7.55 4.20 0.00 2.62 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 73 K 7.79 4.32 0.00 1.98 1.95 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.33 7.81 74 V 7.66 4.10 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 0.89 0.00 0.00 1.20 0.00 0.00 75 V 8.78 4.19 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 0.67 0.00 0.00 0.98 0.00 0.00 76 K 7.74 5.21 0.00 1.84 1.59 0.00 1.67 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.54 7.81 77 T 9.06 5.33 4.58 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 1.44 0.00 0.00 78 T 8.83 5.16 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 1.43 0.00 0.00 79 C 9.21 4.89 0.00 2.71 2.37 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 0.00 0.00 0.00 80 L 8.60 4.39 0.00 1.40 1.14 0.89 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.18 4.97 0.00 1.43 1.55 1.02 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.64 4.00 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 83 D 7.75 4.48 0.00 2.61 2.61 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 0.00 0.00 0.00 0.00 84 I 8.59 3.69 1.85 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 1.57 1.01 0.90 0.00 0.00 85 K 8.58 4.23 0.00 1.76 1.88 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.67 1.63 7.81 86 D 8.30 4.67 0.00 2.89 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 87 F 8.37 4.37 0.00 3.20 3.12 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 88 G 8.15 3.49 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 0.00 0.00 0.00 89 V 7.72 3.52 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 1.03 0.00 0.00 0.94 0.00 0.00 90 F 8.31 4.03 0.00 3.20 3.24 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 91 N 8.31 3.86 0.00 2.18 2.54 0.00 0.00 7.13 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 92 G 7.85 3.54 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 0.00 93 I 7.42 3.67 1.83 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 1.35 0.83 0.81 0.00 0.00 94 Y 7.75 3.82 0.00 2.14 2.66 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 95 A 8.29 4.05 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 0.00 0.00 0.00 0.00 0.00 96 E 7.92 3.80 0.00 2.03 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 0.00 2.27 2.43 0.00 97 A 7.66 3.91 1.01 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 0.00 0.00 98 F 8.17 4.38 0.00 2.85 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 99 G 8.22 3.74 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 0.00 0.00 0.00 100 N 8.82 4.59 0.00 2.74 2.88 0.00 0.00 6.71 8.16 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 0.00 101 H 8.03 4.53 0.00 3.28 3.46 0.00 5.89 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 0.00 102 K 7.65 4.31 0.00 1.63 1.61 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.57 7.81 103 P 0.00 4.37 0.00 1.75 1.83 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.68 0.00 104 A 8.45 4.26 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 0.00 105 R 8.18 5.16 0.00 1.81 1.77 0.00 2.73 0.00 0.00 2.96 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 106 A 8.87 4.93 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 0.00 107 C 8.82 5.88 0.00 2.88 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 0.00 108 F 7.99 4.81 0.00 3.03 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 0.00 109 A 8.62 4.86 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 0.00 110 A 8.68 4.49 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 0.00 111 A 8.80 4.00 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 0.00 112 A 7.21 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.79 4.87 0.00 1.83 1.53 0.90 0.94 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 0.00 114 P 0.00 4.26 0.00 2.18 1.99 0.00 3.81 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 115 K 9.43 3.86 0.00 2.11 2.09 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.47 7.81 116 G 8.14 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 0.00 117 A 7.88 3.67 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.87 4.43 0.00 1.59 1.64 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 119 V 7.29 4.75 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 0.62 0.00 0.00 0.76 0.00 0.00 120 E 9.07 4.94 0.00 1.96 1.66 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 2.17 2.42 0.00 121 V 8.86 5.00 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 1.35 0.00 0.00 1.13 0.00 0.00 122 E 8.89 5.37 0.00 2.31 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 2.37 2.30 0.00 123 C 8.23 5.16 0.00 3.37 3.17 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 0.00 124 I 8.83 4.92 1.76 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.96 0.92 0.00 0.00 125 A 8.63 5.15 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 0.00 126 T 8.28 4.59 4.22 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 1.20 0.00 0.00 127 L 8.29 4.18 0.00 1.69 1.58 0.94 0.65 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 * Residues marked with a * may have inaccurate shift predictions.