NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 E 4.3254 8.4444 121.4713 56.4370 29.6499 173.9643 25 L 4.3638 8.1956 126.0851 54.5531 47.5109 175.4866 26 T 3.4435 8.2590 105.3762 61.0532 68.8537 169.4088 27 E 4.4941 8.3532 117.1270 58.2685 31.1431 178.0879 28 E 4.1223 8.1720 116.9604 58.4227 29.4030 178.4709 29 Q 4.2601 7.9488 117.6551 57.5402 29.7884 177.4422 30 K 4.0137 8.0009 120.2692 59.6683 32.2671 178.4083 31 Q 4.1882 8.4413 119.7552 58.8077 28.8682 177.7859 32 E 4.2295 8.0662 120.1367 59.5854 29.5244 179.3678 33 I 4.0271 7.8701 119.6198 64.0701 37.0028 178.6194 34 R 4.0468 7.9173 118.4849 59.6672 29.8296 177.7442 35 E 3.9105 8.0442 116.5117 59.8358 29.8763 178.8441 36 A 4.3245 8.6530 120.4474 55.7369 18.5344 179.5209 37 F 3.9242 8.5564 118.7606 61.5062 39.5758 176.8521 38 D 4.4757 8.6519 117.8588 56.3411 40.4067 178.5217 39 L 3.8090 7.3653 118.9347 56.6955 41.5719 178.1803 40 F 4.5891 7.3178 114.4636 56.7477 41.0621 175.3036 41 D 4.7941 7.2999 117.1841 52.6995 40.7848 176.2682 42 A 3.9709 7.7221 123.6605 55.0501 19.1415 178.4455 43 D 4.5169 8.1186 113.0180 53.7626 41.5808 176.2155 44 G 3.9873 7.7074 107.5750 46.8581 0.0000 174.3820 45 T 4.1358 8.1249 105.4918 61.2959 69.7510 176.2495 46 G 4.1198 8.5382 110.8053 45.9007 0.0000 173.3383 47 T 5.0168 7.4972 108.9142 59.5998 71.3675 173.1398 48 I 4.4460 7.7701 113.9902 58.3996 40.5115 174.5900 49 D 4.8032 8.5632 121.9290 54.6784 40.9147 178.0803 50 V 3.5214 8.5514 125.6689 64.4464 31.4019 178.5345 51 K 4.0094 7.8763 118.4590 59.1793 32.9269 177.3285 52 E 4.1335 8.3814 118.7810 56.2053 29.5073 177.7683 53 L 3.8672 7.4981 122.8081 58.1848 42.2616 178.4906 54 K 4.0652 8.0201 117.4749 59.4851 32.6409 177.8822 55 V 3.7003 7.8352 117.9569 65.9869 31.8117 177.9625 56 A 4.2508 7.8820 119.3924 53.3863 18.0758 179.0748 *58 R 4.7332 8.4023 118.4117 57.7348 31.9164 177.8553 59 A 4.0424 8.1584 119.1033 55.1051 18.3291 178.1562 60 L 4.3352 7.6941 111.9785 55.1335 41.9528 177.7294 61 G 3.8309 8.2993 108.0045 44.9406 0.0000 174.0851 62 F 4.5866 7.7097 118.2225 57.1942 40.4633 174.7689 63 E 4.9524 8.4073 119.3157 54.6658 29.7804 174.1059 64 P 4.6189 0.0000 0.0000 62.7975 32.7365 176.7112 65 K 4.6859 8.1775 118.1895 53.8094 36.3077 177.6043 66 K 3.8868 8.5505 120.5548 60.2305 31.9760 179.2119 67 E 3.7921 8.0863 117.8932 59.2510 29.2095 178.9327 68 E 3.9013 7.9748 118.0842 59.2229 29.9029 178.5039 69 I 3.8103 7.7067 118.9093 64.1693 37.0727 177.7413 70 K 4.0147 8.6842 121.4431 59.5291 31.9481 178.4222 71 K 4.0641 7.9146 115.4998 57.9135 31.7099 177.9859 *73 I 4.1006 7.6594 120.0635 61.2444 39.1026 177.7234 74 S 4.2164 7.7005 113.6628 60.7833 62.5565 175.1347 75 E 4.1277 8.1778 119.3735 59.3614 29.4484 178.4344 76 I 3.8661 7.7794 118.3415 63.6085 38.1126 176.4236 77 D 4.9556 7.8687 119.7859 52.8426 40.6626 177.4135 78 K 3.9652 8.0323 120.1002 58.9915 33.0867 177.9891 79 E 4.4332 7.8149 117.1383 60.7628 30.0767 177.1342 80 G 3.8351 7.7589 103.5718 48.2972 0.0000 177.0078 81 T 3.8893 7.8337 121.8982 64.3868 68.9551 176.7345 82 G 3.9486 9.2340 109.1173 45.4216 0.0000 172.8412 83 K 5.2436 7.5885 117.2244 52.8149 35.9299 174.5736 *85 N 4.9203 8.2676 116.6221 53.4232 39.5454 174.4858 86 F 3.4533 8.4147 120.6085 60.8571 39.1882 177.2149 87 G 3.4120 8.0374 105.2042 47.7465 0.0000 175.3879 88 D 4.2890 8.5470 121.6573 56.7919 40.5896 178.5970 89 F 4.1393 7.8736 120.2070 61.2485 39.5277 176.2819 90 L 3.6162 7.4498 118.6884 59.1335 41.9406 178.3798 91 T 3.7203 7.9242 114.9434 66.2750 68.1923 175.5171 92 V 3.4335 7.5780 118.0658 64.6412 32.6389 178.2145 *94 T 4.1613 7.7493 113.5109 63.3060 70.4416 174.8282 95 Q 4.0868 8.3168 122.5116 59.3506 29.1838 178.9730 96 K 4.1271 7.7277 117.3986 56.6749 32.0772 179.4812 *98 S 4.4010 8.2788 114.3201 58.5938 65.1256 175.2873 99 E 3.9119 8.1766 121.3213 59.0416 29.1757 179.3318 100 K 3.9574 8.2674 119.1831 59.7739 32.1897 178.4428 101 D 4.3823 8.1064 118.4692 57.6399 40.7927 178.6145 102 T 3.8537 8.2267 116.3720 66.5521 68.5363 176.2251 103 K 3.7708 8.3425 121.9031 59.8956 32.0652 178.1037 104 E 3.9847 8.2130 119.1205 59.2613 29.5298 178.6653 105 E 4.0752 8.2816 118.6205 59.5038 29.6405 179.1027 106 I 3.8675 8.1010 120.2682 64.7582 37.2216 178.3807 107 L 4.2243 8.6082 119.8148 57.8137 41.1846 179.6113 108 K 4.0602 8.3913 119.0404 59.3662 32.4250 178.5055 109 A 4.2834 8.6247 121.3738 54.7652 18.4197 178.9654 110 F 2.9500 8.8286 119.7449 61.5989 39.1546 177.9461 111 K 4.1044 8.0761 116.0589 59.1098 31.8524 178.8887 112 L 4.1845 7.7547 118.6683 57.1126 41.7249 178.9322 113 F 4.0401 8.0074 116.8642 59.5643 40.6337 176.4032 114 D 4.7041 7.5958 120.0494 53.0450 37.4732 176.2940 115 D 4.4325 7.7369 121.1281 55.3645 40.6472 177.9394 116 D 4.4489 8.1034 117.7896 53.0602 39.6440 176.2883 117 E 3.9293 8.1544 119.0874 57.5082 28.6091 174.9580 118 T 3.9423 7.7650 104.4547 61.9650 68.4014 175.1391 119 G 4.0854 8.3570 109.6750 46.1782 0.0000 173.5398 120 K 5.1213 7.7130 117.0418 54.6107 36.5364 175.5949 121 I 4.4621 8.7634 123.6752 60.0279 38.8960 175.8078 122 S 4.8672 9.4037 122.4874 57.0616 65.5199 175.1621 123 F 3.7094 8.9978 121.9085 61.5141 39.1193 177.0088 124 K 3.9649 8.5752 118.5349 60.0346 31.8434 178.0988 125 N 4.3168 7.8368 116.2246 56.1297 38.3846 177.1700 126 L 4.0725 8.0162 121.6961 58.1535 42.3055 178.7042 127 K 3.6744 7.7229 119.4818 59.6209 32.0313 178.6370 128 R 3.8522 7.9017 118.7146 59.1871 29.8665 178.7057 129 V 3.3299 7.9056 117.8094 65.8417 31.5495 177.4495 130 A 3.9255 8.0704 120.9096 55.4724 18.1514 179.4695 131 K 3.8070 7.8980 116.2122 59.9359 32.0371 179.3704 132 E 4.2140 8.0594 117.4101 58.7213 29.4623 178.5202 133 L 4.5656 7.3679 116.1980 53.5341 42.3299 176.5574 134 G 3.7624 8.2956 107.3512 46.5170 0.0000 174.0674 135 E 4.3705 8.3496 119.8147 55.4148 31.2328 176.4444 136 N 4.9973 8.0063 115.5304 52.5938 38.8863 173.7460 137 L 4.4908 7.5169 118.8617 54.4638 43.5675 178.1285 138 T 4.3764 8.1183 112.0590 61.1820 71.2627 175.6503 139 D 4.8836 8.7709 121.5488 57.7992 40.5618 178.8586 140 E 4.0395 8.1789 118.6156 58.8730 29.8890 177.9364 141 E 4.2544 7.9048 118.7553 58.6652 29.5747 178.7287 142 L 3.8979 8.2886 118.5965 58.0032 42.0374 179.2335 143 Q 4.3610 8.9254 119.5674 58.7629 28.8349 177.0888 144 E 4.3186 7.7720 119.2398 56.8265 29.7529 178.3998 *146 I 4.1123 7.7061 117.9102 61.0282 39.3230 177.4704 147 D 4.4080 8.3338 119.0407 57.5873 40.8338 178.3160 148 E 4.0084 8.2603 117.9655 58.8133 29.7683 177.6335 149 A 4.1474 7.7745 120.4096 54.1075 19.0687 176.8195 150 D 4.9029 8.4345 116.0492 53.9124 39.7276 175.7775 151 R 4.1786 8.4788 124.8778 58.4286 30.6399 177.9053 152 D 4.4012 8.3882 115.3710 53.8806 39.6332 176.9826 153 G 3.8909 7.8615 106.9481 46.5504 0.0000 174.0039 154 D 4.4818 8.4102 117.1143 53.0280 39.6654 177.2859 155 G 3.9368 9.5858 108.6702 45.7834 0.0000 172.4544 156 E 4.8931 8.2946 116.6419 54.9044 33.6464 174.4167 157 V 4.8225 8.5545 119.2364 59.9795 33.6234 176.1803 158 S 4.7889 9.7291 121.1231 57.3873 64.6960 175.2708 159 E 3.6423 8.5391 119.1582 59.5157 28.9943 179.3444 160 Q 3.8374 7.9707 118.9705 59.3284 29.0619 178.1401 161 E 4.0386 8.1534 119.2121 59.1814 29.2419 179.2079 162 F 4.0824 8.2508 119.9925 61.1790 39.6705 176.7083 163 L 4.0193 8.5618 118.5116 58.0829 41.6660 179.1586 164 R 4.0211 8.2051 118.6087 59.4209 29.6601 178.3732 165 I 3.8337 7.2692 114.1098 61.6475 37.7133 176.5240 *167 K 4.2823 7.9259 118.7220 55.5408 33.5846 177.1890 168 K 4.3902 7.7319 117.4092 57.3379 32.6164 176.3542 *169 T 4.5430 7.4373 113.7892 60.2781 71.0842 178.7292 *170 S 3.9608 7.5246 115.8444 61.4407 62.9460 172.1602 *171 L 4.4613 6.9325 118.5246 53.8465 44.2992 176.0037 172 Y 4.1942 8.6262 118.4499 58.4417 38.9472 175.4225 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 24 E 8.44 4.33 0.00 1.95 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 2.20 2.26 0.00 25 L 8.20 4.36 0.00 1.67 1.59 0.91 0.79 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 26 T 8.26 3.44 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 1.24 0.00 0.00 27 E 8.35 4.49 0.00 2.05 1.93 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 2.20 2.36 0.00 28 E 8.17 4.12 0.00 2.11 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 2.41 2.48 0.00 29 Q 7.95 4.26 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 30 K 8.00 4.01 0.00 2.04 2.00 0.00 1.83 0.00 0.00 1.97 0.00 0.00 3.13 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.61 1.52 7.81 31 Q 8.44 4.19 0.00 2.39 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 32 E 8.07 4.23 0.00 2.33 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 2.39 2.45 0.00 33 I 7.87 4.03 2.24 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 0.80 1.01 0.00 0.00 34 R 7.92 4.05 0.00 1.90 2.08 0.00 2.36 0.00 0.00 2.84 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 35 E 8.04 3.91 0.00 2.26 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 2.38 2.53 0.00 36 A 8.65 4.32 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 0.00 0.00 0.00 0.00 0.00 37 F 8.56 3.92 0.00 3.49 3.42 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 38 D 8.65 4.48 0.00 2.96 2.67 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 0.00 0.00 0.00 39 L 7.37 3.81 0.00 0.88 0.71 0.72 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 40 F 7.32 4.59 0.00 2.74 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 41 D 7.30 4.79 0.00 2.36 2.28 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 42 A 7.72 3.97 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 43 D 8.12 4.52 0.00 2.66 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 44 G 7.71 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 45 T 8.12 4.14 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 1.21 0.00 0.00 46 G 8.54 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 47 T 7.50 5.02 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 1.31 0.00 0.00 48 I 7.77 4.45 1.65 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.80 0.13 0.00 0.00 49 D 8.56 4.80 0.00 2.72 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 50 V 8.55 3.52 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 0.83 0.00 0.00 0.93 0.00 0.00 51 K 7.88 4.01 0.00 1.86 1.96 0.00 1.55 0.00 0.00 1.69 0.00 0.00 3.16 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.42 7.81 52 E 8.38 4.13 0.00 1.40 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 2.37 2.31 0.00 53 L 7.50 3.87 0.00 1.72 1.67 1.01 0.68 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 54 K 8.02 4.07 0.00 1.73 1.79 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.42 7.81 55 V 7.84 3.70 1.97 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 1.16 0.00 0.00 0.96 0.00 0.00 56 A 7.88 4.25 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 *58 R 8.40 4.73 0.00 2.17 2.10 0.00 3.47 0.00 0.00 3.35 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 59 A 8.16 4.04 1.55 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 0.00 0.00 60 L 7.69 4.34 0.00 2.15 1.92 1.20 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.30 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 62 F 7.71 4.59 0.00 3.13 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 63 E 8.41 4.95 0.00 1.94 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 2.22 2.22 0.00 64 P 0.00 4.62 0.00 2.16 2.03 0.00 3.86 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 2.01 2.01 0.00 65 K 8.18 4.69 0.00 1.72 1.70 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.43 7.81 66 K 8.55 3.89 0.00 1.78 1.89 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.57 7.81 67 E 8.09 3.79 0.00 2.04 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 2.39 2.41 0.00 68 E 7.97 3.90 0.00 1.93 2.17 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 2.24 2.35 0.00 69 I 7.71 3.81 1.96 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 1.38 0.62 0.89 0.00 0.00 70 K 8.68 4.01 0.00 1.84 2.01 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.45 7.81 71 K 7.91 4.06 0.00 1.99 1.88 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.45 7.81 *73 I 7.66 4.10 1.93 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 1.28 0.73 0.90 0.00 0.00 74 S 7.70 4.22 0.00 3.83 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 75 E 8.18 4.13 0.00 1.99 1.97 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 2.32 2.50 0.00 76 I 7.78 3.87 1.87 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 1.29 0.44 0.93 0.00 0.00 77 D 7.87 4.96 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 78 K 8.03 3.97 0.00 1.78 1.87 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.54 1.56 7.81 79 E 7.81 4.43 0.00 2.13 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 0.00 2.28 2.28 0.00 80 G 7.76 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 81 T 7.83 3.89 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 1.22 0.00 0.00 82 G 9.23 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.59 5.24 0.00 1.70 1.76 0.00 1.92 0.00 0.00 0.93 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.42 7.81 *85 N 8.27 4.92 0.00 3.10 3.12 0.00 0.00 5.62 8.12 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 86 F 8.41 3.45 0.00 2.15 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 87 G 8.04 3.41 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 0.00 88 D 8.55 4.29 0.00 2.78 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 89 F 7.87 4.14 0.00 3.12 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 90 L 7.45 3.62 0.00 0.56 1.40 0.83 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 91 T 7.92 3.72 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 1.14 0.00 0.00 92 V 7.58 3.43 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 0.87 0.00 0.00 0.88 0.00 0.00 *94 T 7.75 4.16 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 1.18 0.00 0.00 95 Q 8.32 4.09 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.34 7.18 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 96 K 7.73 4.13 0.00 1.37 1.06 0.00 1.43 0.00 0.00 1.48 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.07 7.81 *98 S 8.28 4.40 0.00 4.04 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 0.00 99 E 8.18 3.91 0.00 2.04 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 0.00 2.31 2.46 0.00 100 K 8.27 3.96 0.00 2.17 1.95 0.00 1.70 0.00 0.00 1.51 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.59 1.56 7.81 101 D 8.11 4.38 0.00 2.95 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 0.00 102 T 8.23 3.85 4.37 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 1.05 0.00 0.00 103 K 8.34 3.77 0.00 1.76 1.96 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.49 7.81 104 E 8.21 3.98 0.00 2.43 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 2.34 2.37 0.00 105 E 8.28 4.08 0.00 2.51 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 2.45 2.47 0.00 106 I 8.10 3.87 1.97 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.12 1.00 0.00 0.00 107 L 8.61 4.22 0.00 1.98 1.79 0.89 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.39 4.06 0.00 1.94 2.15 0.00 1.85 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.51 7.81 109 A 8.62 4.28 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 0.00 0.00 0.00 0.00 0.00 110 F 8.83 2.95 0.00 2.97 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 0.00 111 K 8.08 4.10 0.00 1.99 1.93 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.72 1.86 7.81 112 L 7.75 4.18 0.00 1.73 1.61 0.98 0.70 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 0.00 113 F 8.01 4.04 0.00 2.68 2.79 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 0.00 0.00 0.00 0.00 114 D 7.60 4.70 0.00 2.24 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 0.00 0.00 0.00 0.00 115 D 7.74 4.43 0.00 2.79 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 0.00 116 D 8.10 4.45 0.00 2.85 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 0.00 117 E 8.15 3.93 0.00 2.15 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 0.00 2.25 2.26 0.00 118 T 7.76 3.94 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 1.37 0.00 0.00 119 G 8.36 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 0.00 120 K 7.71 5.12 0.00 1.66 1.74 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.69 7.81 121 I 8.76 4.46 1.69 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.10 0.75 0.00 0.00 122 S 9.40 4.87 0.00 4.00 4.03 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 0.00 123 F 9.00 3.71 0.00 3.16 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 0.00 124 K 8.58 3.96 0.00 1.97 1.90 0.00 1.80 0.00 0.00 1.86 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.63 7.81 125 N 7.84 4.32 0.00 2.97 3.06 0.00 0.00 6.71 6.59 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 0.00 126 L 8.02 4.07 0.00 1.76 1.59 1.15 0.36 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 0.00 127 K 7.72 3.67 0.00 1.41 1.75 0.00 1.84 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.42 7.81 128 R 7.90 3.85 0.00 2.04 2.05 0.00 3.29 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 129 V 7.91 3.33 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 0.52 0.00 0.00 0.48 0.00 0.00 130 A 8.07 3.93 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 0.00 131 K 7.90 3.81 0.00 1.91 1.85 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.48 7.81 132 E 8.06 4.21 0.00 2.05 1.97 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 2.31 2.32 0.00 133 L 7.37 4.57 0.00 1.58 1.64 0.83 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 134 G 8.30 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 0.00 135 E 8.35 4.37 0.00 2.02 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 2.31 2.38 0.00 136 N 8.01 5.00 0.00 2.61 2.67 0.00 0.00 6.96 7.78 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 0.00 137 L 7.52 4.49 0.00 1.66 1.58 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 138 T 8.12 4.38 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 1.23 0.00 0.00 139 D 8.77 4.88 0.00 2.89 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 0.00 140 E 8.18 4.04 0.00 2.00 2.01 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 2.32 2.43 0.00 141 E 7.90 4.25 0.00 2.18 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 2.32 2.36 0.00 142 L 8.29 3.90 0.00 1.70 1.27 0.75 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 143 Q 8.93 4.36 0.00 2.38 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.11 0.00 0.00 0.00 0.00 0.00 2.41 2.67 0.00 144 E 7.77 4.32 0.00 2.32 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 0.00 2.32 2.37 0.00 *146 I 7.71 4.11 1.96 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 1.64 1.10 0.97 0.00 0.00 147 D 8.33 4.41 0.00 2.70 2.77 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 0.00 148 E 8.26 4.01 0.00 1.93 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 0.00 2.32 2.26 0.00 149 A 7.77 4.15 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 0.00 150 D 8.43 4.90 0.00 2.68 2.68 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 0.00 0.00 0.00 151 R 8.48 4.18 0.00 1.85 1.97 0.00 3.25 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 152 D 8.39 4.40 0.00 2.79 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 0.00 153 G 7.86 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 0.00 154 D 8.41 4.48 0.00 2.85 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 0.00 155 G 9.59 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 0.00 156 E 8.29 4.89 0.00 2.25 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 2.24 2.30 0.00 157 V 8.55 4.82 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 0.90 0.00 0.00 1.10 0.00 0.00 158 S 9.73 4.79 0.00 3.86 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 0.00 159 E 8.54 3.64 0.00 1.74 1.69 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 1.47 1.49 0.00 160 Q 7.97 3.84 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 161 E 8.15 4.04 0.00 2.44 2.13 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 2.45 2.33 0.00 162 F 8.25 4.08 0.00 3.26 3.40 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 0.00 163 L 8.56 4.02 0.00 1.78 1.69 0.89 0.86 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 0.00 164 R 8.21 4.02 0.00 1.85 2.09 0.00 3.08 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 165 I 7.27 3.83 1.93 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.72 0.69 0.00 0.00 *167 K 7.93 4.28 0.00 2.02 1.83 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.35 7.81 168 K 7.73 4.39 0.00 1.77 1.84 0.00 1.53 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.31 7.81 *169 T 7.44 4.54 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 *170 S 7.52 3.96 0.00 3.63 3.73 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 *171 L 6.93 4.46 0.00 1.59 1.39 0.92 0.68 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 0.00 172 Y 8.63 4.19 0.00 2.84 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 * Residues marked with a * may have inaccurate shift predictions.