NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.4869 8.2033 119.6862 55.2940 30.3136 176.9263 4 P 4.3467 0.0000 0.0000 64.3008 31.9757 176.1654 5 L 4.6707 8.4240 118.4506 54.1016 42.8670 175.8874 6 V 4.0618 6.5627 117.6902 63.9286 31.6586 176.6225 7 G 3.9575 9.0277 115.0030 44.9624 0.0000 172.8283 8 K 4.7277 7.8725 119.8899 54.8445 34.0638 175.0882 9 Q 5.1079 10.0487 126.7909 54.4645 31.4176 173.9888 10 I 4.7364 8.6814 127.5247 59.3658 40.1671 174.1186 11 L 5.0183 8.7127 129.6779 53.7253 43.8845 174.9375 12 I 4.7709 8.9214 127.7965 59.5938 39.8116 174.7826 13 V 4.7548 8.9170 128.7545 61.3590 33.2356 174.2222 14 E 4.7856 8.9205 129.7733 55.0798 32.5821 175.7394 15 D 4.5736 8.9900 126.4309 55.1086 40.3125 176.6916 16 E 4.2545 8.8159 121.9090 55.0889 30.4314 176.4995 17 Q 3.9827 8.7889 127.7952 59.3866 29.1811 178.4475 18 V 3.6099 7.7750 118.6100 66.1404 31.6367 177.6944 19 F 4.3707 8.2578 119.9355 60.9614 39.3166 176.8188 20 R 3.8102 8.4548 118.9815 59.7441 29.8091 178.7449 21 S 4.1669 8.2697 114.8493 61.2868 62.7753 176.4444 22 L 3.9610 7.9863 123.1117 58.2225 41.8158 179.1047 23 L 4.0123 7.8252 119.0549 57.6576 41.4277 178.8270 24 D 4.4215 8.1916 118.0167 57.6207 41.1807 178.3448 25 S 4.1192 8.4059 113.7407 61.0720 62.1391 175.9855 26 W 4.0153 8.1876 129.8691 60.6338 30.9552 177.7483 27 F 3.9919 8.6984 117.9242 60.6622 38.3536 177.9597 28 S 4.4973 8.8770 116.7607 60.9584 62.3975 176.7620 29 S 4.2160 7.9587 115.9159 60.4586 63.0494 175.4676 30 L 4.2861 7.3035 121.0643 54.3331 41.5494 177.7453 31 G 3.9848 7.9710 107.8975 44.7851 0.0000 173.8253 32 A 4.5214 7.8337 121.7322 52.1014 20.0737 176.2630 33 T 4.5640 8.6251 110.7551 60.5991 70.7779 173.8857 34 T 5.0613 8.4841 115.1857 59.8673 71.6955 173.5814 35 V 4.4227 8.8602 123.4308 61.1268 34.5152 174.0752 36 L 5.3670 8.6544 126.6621 52.8672 44.8058 175.6284 37 A 4.7344 9.0210 124.0467 50.1734 21.2211 177.1726 38 A 4.4565 8.8437 124.6540 53.1946 19.3483 176.4574 39 D 5.2533 7.8383 115.2479 52.1214 44.3402 176.8886 40 G 3.6477 8.6838 113.3364 47.8367 0.0000 175.9440 41 V 3.6548 7.8380 120.0776 65.8797 31.5945 177.6180 42 D 4.3682 8.6322 118.6046 57.4128 40.6796 178.7312 43 A 4.0279 8.1085 121.2362 54.8916 18.1346 179.3179 44 L 3.9104 7.7606 118.0848 58.3538 42.5312 178.5379 45 E 4.0856 8.1207 118.9156 59.3306 29.6009 178.6241 46 L 4.0602 8.1959 119.1202 57.9786 41.5426 179.3469 47 L 4.5295 8.0809 117.0482 56.5904 41.6107 178.6025 48 G 4.0888 7.7657 104.5323 45.1355 0.0000 174.2278 49 G 4.2486 8.3732 107.8285 44.6983 0.0000 172.5348 50 F 4.8843 8.0517 112.5189 55.9531 40.7037 174.1134 51 T 3.8981 7.8840 116.8799 60.8477 70.1722 172.4192 52 P 4.7520 0.0000 0.0000 61.4767 32.3491 176.3185 53 D 4.5465 8.6239 118.5997 56.7237 41.3915 176.9807 54 L 4.5792 7.5213 118.6106 54.0808 45.7364 173.0948 55 M 5.0720 9.0441 126.0344 53.8235 35.1231 174.1202 56 I 5.5231 9.0467 126.7489 59.1100 39.9630 174.4827 57 C 5.3675 8.4429 119.5442 57.2185 33.5402 171.6662 58 D 5.2733 8.6641 118.9888 52.2261 43.0864 176.0772 59 I 4.4636 8.3481 118.1395 60.8889 38.0854 175.5934 60 A 4.6589 7.9334 122.2525 52.2742 19.3622 178.2378 *66 G 4.2572 7.9135 110.4016 46.4851 0.0000 175.7112 67 L 4.0535 7.7995 119.5170 57.3986 41.5543 179.4966 68 K 4.1869 7.9164 119.6272 58.7169 32.1711 178.6934 69 L 3.9792 7.9459 120.1175 58.1955 42.0219 178.6472 70 L 3.9499 7.8396 120.1404 58.1723 42.1969 178.7711 71 E 3.9766 8.7010 117.9460 59.7544 29.1438 178.8710 72 H 4.3749 8.3308 117.4650 58.4924 28.7683 177.7643 73 I 3.9007 7.8072 114.9237 63.9626 37.1845 178.5487 74 R 3.9985 8.1872 119.7724 58.8680 29.6648 178.5256 75 N 4.4621 8.1139 115.7506 55.3993 38.6670 176.8423 76 R 4.2614 7.4502 114.7785 56.6451 30.0553 177.2653 77 G 4.0586 7.4235 107.2630 45.1822 0.0000 173.4950 78 D 4.4312 7.8606 120.1975 54.5335 41.1334 176.2641 79 Q 4.4819 8.4566 121.2030 55.6509 29.2375 175.6386 80 T 3.7745 7.8784 115.0914 63.5967 68.8521 172.0155 81 P 4.4195 0.0000 0.0000 62.8017 32.8390 175.4380 82 V 4.8113 8.3751 122.8211 60.9540 35.1750 173.4656 83 L 4.9504 9.0514 130.1275 53.3058 44.5375 174.9308 84 V 4.6682 8.4235 126.8182 61.8672 33.3075 174.5630 85 I 5.0521 8.6552 128.7049 59.8129 39.3542 174.8433 86 S 4.7002 9.3930 121.4248 56.7246 66.0488 174.2852 87 A 4.3677 8.5998 126.4450 52.3289 19.1097 177.8108 88 T 3.9425 7.4861 111.0754 62.5831 67.7696 173.4585 89 E 4.5055 8.5703 125.2904 55.9827 30.4827 176.4706 90 N 4.5944 8.0177 119.4454 52.7786 38.7773 175.0822 91 M 4.0409 8.5448 128.6647 58.3760 32.1930 178.3865 92 A 4.0341 8.0273 120.3237 55.2189 18.5679 179.3375 93 D 4.3025 8.4976 117.4091 57.4687 40.8532 178.8993 94 I 3.6637 7.8059 120.1379 64.3818 37.0767 178.2173 95 A 3.9696 8.3735 121.9141 55.0301 18.2016 179.5047 96 K 3.8138 8.1764 117.8044 59.6585 32.0466 178.8686 97 A 4.0029 7.7357 119.7201 55.2061 18.4734 179.2837 98 L 4.0872 8.2631 117.8419 58.0512 41.4512 180.0291 99 R 3.9913 8.0377 117.1816 58.9339 30.0387 178.6337 100 L 4.4055 7.5289 117.4314 54.9828 42.2212 177.0565 101 G 3.9059 8.1939 106.6197 46.1808 0.0000 172.8193 102 V 4.6285 7.4946 117.0993 58.9113 35.5829 176.1363 103 E 4.1583 9.3917 123.2352 59.5788 30.0330 176.4082 104 D 4.3575 7.3887 116.2310 53.8471 44.9267 175.1506 105 V 4.3777 8.4501 121.0146 60.9766 33.3652 173.9361 106 L 4.4764 9.0778 131.2391 53.7934 43.5129 175.5028 107 L 5.4066 8.7490 128.0972 54.2379 42.9307 175.5970 108 K 4.7082 8.2761 123.2438 54.1984 36.0004 174.6145 109 P 3.9334 0.0000 0.0000 63.1993 30.1951 176.7381 110 V 3.0724 7.1176 115.2455 60.4674 34.4286 174.6963 *114 N 4.7482 7.9526 120.8682 53.7704 39.1055 177.4402 115 R 3.9586 8.5185 122.8492 59.8695 29.8737 177.9293 116 L 3.8246 7.7880 120.1296 58.2254 41.9712 178.6747 117 R 4.4879 7.5176 117.0016 59.5868 30.0770 178.3486 118 E 4.0075 8.3162 118.1722 59.8062 29.2074 178.6181 119 M 4.0752 8.2300 118.4765 58.3403 31.9602 178.9035 120 V 3.5825 8.1892 118.5080 66.3239 31.6819 178.1868 121 F 3.9067 8.5373 117.2259 60.1562 38.5099 176.8308 122 A 4.3593 8.1227 117.1996 52.8113 18.0888 177.2517 123 C 4.5940 7.1650 116.5802 61.0386 33.4242 175.6992 124 L 4.2593 8.0179 119.5244 57.5461 41.4020 176.7542 125 Y 4.4489 7.4153 120.0994 57.4548 37.9579 174.1354 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 3 Q 8.20 4.49 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 4 P 0.00 4.35 0.00 2.70 2.44 0.00 3.85 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 5 L 8.42 4.67 0.00 1.80 1.62 0.73 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 6 V 6.56 4.06 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 0.96 0.00 0.00 0.92 0.00 0.00 7 G 9.03 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 0.00 0.00 0.00 8 K 7.87 4.73 0.00 1.84 1.73 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.54 7.81 9 Q 10.05 5.11 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 10 I 8.68 4.74 1.43 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.33 0.08 0.00 0.00 11 L 8.71 5.02 0.00 1.94 1.53 1.14 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 12 I 8.92 4.77 1.83 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 0.99 0.44 0.89 0.00 0.00 13 V 8.92 4.75 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 0.96 0.00 0.00 0.96 0.00 0.00 14 E 8.92 4.79 0.00 2.17 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 2.44 2.59 0.00 15 D 8.99 4.57 0.00 2.85 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 16 E 8.82 4.25 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 2.38 2.35 0.00 17 Q 8.79 3.98 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 18 V 7.77 3.61 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 1.05 0.00 0.00 0.97 0.00 0.00 19 F 8.26 4.37 0.00 3.10 3.08 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 0.00 20 R 8.45 3.81 0.00 2.06 2.13 0.00 3.16 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 21 S 8.27 4.17 0.00 4.08 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 22 L 7.99 3.96 0.00 1.91 1.74 0.97 0.68 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 23 L 7.83 4.01 0.00 1.73 1.83 0.58 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.19 4.42 0.00 2.89 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 25 S 8.41 4.12 0.00 4.04 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 26 W 8.19 4.02 0.00 3.31 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 27 F 8.70 3.99 0.00 3.37 3.05 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 28 S 8.88 4.50 0.00 3.93 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 29 S 7.96 4.22 0.00 3.98 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 30 L 7.30 4.29 0.00 1.57 1.55 -0.30 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.97 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 32 A 7.83 4.52 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 33 T 8.63 4.56 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 34 T 8.48 5.06 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 1.24 0.00 0.00 35 V 8.86 4.42 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 0.75 0.00 0.00 0.78 0.00 0.00 36 L 8.65 5.37 0.00 1.50 1.52 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 37 A 9.02 4.73 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 38 A 8.84 4.46 1.32 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 0.00 0.00 0.00 39 D 7.84 5.25 0.00 2.69 2.65 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 40 G 8.68 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 V 7.84 3.65 2.30 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 1.06 0.00 0.00 0.94 0.00 0.00 42 D 8.63 4.37 0.00 2.94 2.71 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 43 A 8.11 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.76 3.91 0.00 1.67 1.91 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.12 4.09 0.00 2.12 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 0.00 2.32 2.36 0.00 46 L 8.20 4.06 0.00 2.08 1.83 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.08 4.53 0.00 1.81 1.69 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.77 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 49 G 8.37 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 0.00 0.00 0.00 0.00 50 F 8.05 4.88 0.00 3.14 2.89 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 51 T 7.88 3.90 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 1.08 0.00 0.00 52 P 0.00 4.75 0.00 2.23 2.04 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.54 0.00 53 D 8.62 4.55 0.00 2.68 2.76 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 54 L 7.52 4.58 0.00 1.72 1.39 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 55 M 9.04 5.07 0.00 2.06 1.80 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 2.58 2.47 0.00 56 I 9.05 5.52 1.86 0.00 0.00 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 0.97 0.94 0.99 0.00 0.00 57 C 8.44 5.37 0.00 2.97 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 58 D 8.66 5.27 0.00 2.79 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 59 I 8.35 4.46 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.75 0.92 0.00 0.00 60 A 7.93 4.66 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 *66 G 7.91 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 0.00 0.00 0.00 0.00 67 L 7.80 4.05 0.00 1.70 1.72 0.92 0.99 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 68 K 7.92 4.19 0.00 1.80 1.92 0.00 2.02 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.32 7.81 69 L 7.95 3.98 0.00 1.78 1.91 0.97 0.54 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 70 L 7.84 3.95 0.00 1.83 1.81 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.70 3.98 0.00 2.11 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 0.00 2.42 2.08 0.00 72 H 8.33 4.37 0.00 3.41 3.37 0.00 5.61 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 73 I 7.81 3.90 1.85 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 1.83 0.62 0.98 0.00 0.00 74 R 8.19 4.00 0.00 1.89 2.01 0.00 3.34 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.88 0.00 75 N 8.11 4.46 0.00 2.76 2.88 0.00 0.00 7.03 7.68 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 76 R 7.45 4.26 0.00 2.01 2.06 0.00 3.04 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.75 0.00 77 G 7.42 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 78 D 7.86 4.43 0.00 2.77 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 79 Q 8.46 4.48 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.28 0.00 80 T 7.88 3.77 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 81 P 0.00 4.42 0.00 2.16 1.97 0.00 3.58 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 2.22 2.08 0.00 82 V 8.38 4.81 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 0.79 0.00 0.00 0.99 0.00 0.00 83 L 9.05 4.95 0.00 1.79 1.53 1.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.42 4.67 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 0.77 0.00 0.00 0.94 0.00 0.00 85 I 8.66 5.05 2.03 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 1.17 0.88 1.04 0.00 0.00 86 S 9.39 4.70 0.00 3.85 3.62 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 87 A 8.60 4.37 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 88 T 7.49 3.94 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 89 E 8.57 4.51 0.00 1.94 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 0.00 2.18 2.23 0.00 90 N 8.02 4.59 0.00 2.77 2.73 0.00 0.00 7.22 7.71 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 91 M 8.54 4.04 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.55 0.00 92 A 8.03 4.03 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 93 D 8.50 4.30 0.00 2.87 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 94 I 7.81 3.66 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.86 0.91 0.00 0.00 95 A 8.37 3.97 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 96 K 8.18 3.81 0.00 1.84 1.98 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.45 7.81 97 A 7.74 4.00 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 98 L 8.26 4.09 0.00 1.83 1.73 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.04 3.99 0.00 1.93 1.99 0.00 3.15 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 100 L 7.53 4.41 0.00 1.77 1.72 0.91 1.21 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 0.00 101 G 8.19 3.91 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 0.00 0.00 0.00 102 V 7.49 4.63 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 0.84 0.00 0.00 0.94 0.00 0.00 103 E 9.39 4.16 0.00 1.82 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 2.50 2.42 0.00 104 D 7.39 4.36 0.00 2.71 2.47 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 0.00 105 V 8.45 4.38 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 0.84 0.00 0.00 0.94 0.00 0.00 106 L 9.08 4.48 0.00 1.77 1.52 0.91 0.41 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 0.00 107 L 8.75 5.41 0.00 1.66 1.52 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.28 4.71 0.00 1.42 1.57 0.00 1.47 0.00 0.00 1.34 0.00 0.00 2.58 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.25 1.28 7.81 109 P 0.00 3.93 0.00 1.98 1.92 0.00 3.60 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 110 V 7.12 3.07 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 0.73 0.00 0.00 0.98 0.00 0.00 *114 N 7.95 4.75 0.00 2.70 2.47 0.00 0.00 6.50 7.66 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 0.00 115 R 8.52 3.96 0.00 1.90 1.90 0.00 3.40 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 116 L 7.79 3.82 0.00 1.51 1.11 0.85 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 117 R 7.52 4.49 0.00 2.20 2.27 0.00 3.38 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 1.92 0.00 118 E 8.32 4.01 0.00 2.06 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 0.00 2.41 2.44 0.00 119 M 8.23 4.08 0.00 2.14 2.13 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 2.77 2.72 0.00 120 V 8.19 3.58 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 1.12 0.00 0.00 1.22 0.00 0.00 121 F 8.54 3.91 0.00 3.22 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 0.00 122 A 8.12 4.36 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 0.00 123 C 7.17 4.59 0.00 2.95 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 0.00 124 L 8.02 4.26 0.00 1.68 1.90 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 7.42 4.45 0.00 3.03 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 * Residues marked with a * may have inaccurate shift predictions.