NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5634 8.1627 120.2784 55.1434 34.3942 173.4959 2 K 4.6977 8.9863 122.2781 53.7110 35.7654 173.1347 3 L 4.9994 9.4655 130.0590 53.6269 44.4211 174.4513 4 V 4.7453 8.7002 127.9910 61.6843 33.4146 174.4593 5 T 5.2301 8.9359 124.8476 61.7469 71.5088 173.2516 6 V 4.8415 8.9831 126.4247 61.1811 34.5821 174.0209 7 I 5.0430 8.7234 129.3009 59.8183 39.1807 174.9114 8 I 5.0458 8.8307 120.2587 58.8107 42.0805 174.6191 9 K 4.4179 8.4653 121.5111 55.6926 32.8084 176.2632 10 P 4.2721 0.0000 0.0000 65.9602 31.1149 178.7788 11 F 4.4181 8.4575 110.6143 59.0461 38.0508 176.2612 12 K 3.8864 7.3812 118.2297 56.1382 31.9185 178.0333 13 L 3.9515 7.9097 125.3871 58.9425 42.0724 179.2936 14 E 4.0181 8.1452 117.6506 61.2682 29.5813 180.5543 15 D 4.5232 7.8892 119.0691 57.3343 41.1063 178.9101 16 V 3.5890 7.8362 118.8077 65.6893 31.4587 178.0882 17 R 3.8479 8.3584 118.9476 59.5779 30.0135 178.3143 18 E 3.9429 8.2546 118.1129 59.4889 28.1536 179.3411 19 A 4.0551 8.0746 120.6737 54.8609 18.3598 179.7471 20 L 4.1395 7.7253 117.6176 57.8694 41.8397 179.6897 21 S 4.2339 8.3230 114.4229 61.1253 62.7487 176.5747 22 S 4.2858 8.0268 117.4600 60.0262 62.6991 174.7362 23 I 4.3241 6.8563 113.1476 60.4576 37.5869 176.8951 24 G 3.8053 8.0464 108.5141 46.7180 0.0000 174.9421 25 I 4.0351 7.5989 120.9357 60.8979 35.9812 175.5515 26 Q 4.2689 8.5034 124.1576 55.7443 29.6683 176.6175 27 G 3.9180 7.8892 107.1304 44.3459 0.0000 172.8007 28 L 5.0982 8.1084 124.7607 52.6950 46.0270 176.3812 29 T 4.6181 8.7663 118.0248 61.7998 71.7966 173.0293 30 V 4.9208 8.5229 125.9564 61.4060 34.1088 174.7591 31 T 4.7381 8.7402 122.9770 61.7818 72.6923 172.7746 32 E 4.5654 8.7812 125.0358 56.1009 30.7772 176.0778 33 V 4.5973 8.6720 116.2972 59.7900 36.8616 174.0914 34 K 5.0102 8.3670 119.3067 55.3985 35.7588 176.4063 35 G 4.1019 9.0702 109.2358 45.9255 0.0000 171.3159 36 F 5.2207 8.6434 117.3098 55.2855 42.0783 176.5483 37 G 4.0829 8.8124 110.3769 45.7830 0.0000 173.5953 38 R 4.5970 7.4399 117.0033 54.3362 32.1329 175.9460 39 Q 4.5392 8.2620 121.3842 54.3986 30.8496 176.4816 40 K 4.1414 8.3675 120.8239 55.4244 32.5550 177.1639 41 G 3.9947 8.0935 112.0878 45.6318 0.0000 173.2614 *42 H 4.2183 8.7366 117.3457 54.1683 28.6308 171.3742 43 A 4.0727 8.4164 124.2898 52.3470 18.6838 177.2603 44 E 4.5067 8.5174 122.3974 54.3761 30.6607 175.9492 45 L 4.1739 8.4583 126.3097 55.8200 43.2178 177.1310 *46 Y 3.5545 8.4576 117.2519 57.6241 34.2881 173.2669 47 R 3.9421 7.9905 123.4548 59.8337 30.6770 178.3180 48 G 3.8651 8.0693 104.5170 47.5706 0.0000 174.2738 49 A 3.9593 7.9451 122.9715 54.1617 18.5005 177.4247 50 E 4.5016 7.7648 114.9675 54.8023 31.5655 176.2811 51 Y 4.7940 8.3758 122.9671 57.4418 36.3177 175.1226 52 S 4.7488 8.3250 115.3115 57.4632 64.8727 174.1288 53 V 4.3757 7.6366 119.5280 61.0926 34.0359 174.1785 54 N 5.1884 8.5888 123.5829 51.2862 41.2035 174.3697 55 F 4.0496 8.6973 119.2937 57.3698 40.1528 174.7960 56 L 4.9943 9.2652 122.8162 52.0669 44.8559 174.2235 57 P 4.8860 0.0000 0.0000 62.9278 32.2534 175.5615 58 K 4.8604 9.2192 121.8777 54.6987 37.2677 174.9116 59 V 4.6131 8.8957 121.7160 61.0862 34.0055 174.0936 60 K 4.9757 8.9997 129.7856 54.9908 34.0578 174.5708 61 I 4.8693 8.8448 129.4146 59.8373 39.4965 174.4431 62 D 5.5637 9.3590 127.3590 52.5292 43.9212 175.8729 63 V 4.7836 8.6233 121.6474 60.4376 35.0742 173.1454 64 A 4.9972 8.6913 127.6164 50.9274 19.8969 176.0477 65 I 4.7656 8.9069 115.4827 58.8231 41.7037 174.4184 66 A 4.5978 9.1276 125.2571 51.2606 19.7490 178.1213 67 D 4.4288 9.1177 124.4222 58.5049 41.2044 179.7327 68 D 4.3917 8.3331 115.9789 56.5625 39.7741 180.0264 69 Q 4.2677 7.7698 115.0324 56.6796 28.2357 177.4829 70 L 3.9032 7.7218 123.4249 58.9661 42.1256 178.4866 71 D 4.4609 8.2594 120.4399 58.2309 40.7100 179.3991 72 E 4.0392 8.0686 118.2102 60.8459 29.8244 181.2374 73 V 3.7565 8.0986 119.3615 66.0169 31.6541 178.1564 74 I 3.6749 8.1097 120.0194 64.4191 36.9453 177.8293 75 D 4.2913 8.0427 120.6936 58.1927 41.1809 178.9934 76 I 3.7486 7.9758 120.6849 64.9083 35.3789 180.5302 77 V 3.7232 7.9474 119.2512 66.2335 31.4742 178.2752 78 S 4.1572 8.4451 115.2906 61.6226 62.4473 176.9152 79 K 3.9083 7.9127 119.6403 59.5523 31.8993 179.0230 80 A 4.1266 7.7694 119.5193 54.7764 18.3695 179.0698 81 A 4.0596 8.3418 118.9282 53.6087 19.1978 177.7100 82 Y 4.2720 7.5615 118.3954 58.3523 39.3515 176.0402 83 T 4.2913 7.7307 113.0244 60.6083 71.0002 173.4291 84 G 3.6584 7.5855 111.8372 45.8344 0.0000 175.0551 85 K 4.1448 6.9190 119.4887 53.5868 32.3263 178.8490 86 I 3.7491 7.9460 120.3992 62.8474 38.4154 176.0383 87 G 4.0738 8.8452 114.1121 45.6865 0.0000 174.2251 88 D 4.2746 7.9736 121.3503 56.7679 40.9102 175.2249 89 G 4.3403 7.5238 101.8307 44.3351 0.0000 172.2543 90 K 4.6095 8.3951 116.6466 54.4488 36.7218 175.6421 91 I 4.8854 7.8289 121.8792 59.5479 39.8411 175.0090 92 F 4.9242 9.3108 125.6508 55.5524 42.1672 174.5320 93 V 4.9503 8.5876 121.7172 61.1517 33.8617 174.2994 94 A 4.9148 8.9881 128.7166 49.8953 22.8796 174.2431 95 E 4.4905 8.7408 120.1744 55.6736 30.8825 175.5936 96 L 4.5492 8.3680 126.7287 53.2229 43.0093 176.2670 97 Q 4.0195 9.2079 128.5957 58.9287 29.5638 176.4166 98 R 4.9177 7.5083 114.4727 54.2789 33.7232 176.7064 99 V 4.5121 8.3367 117.1252 61.6386 34.9184 173.9883 100 I 4.9219 8.3779 128.1919 59.3932 39.9832 175.0304 101 R 4.1221 8.6227 128.4926 55.6246 30.2525 176.8683 102 I 3.6737 8.7222 128.3445 64.6399 37.4182 177.6173 103 R 4.0314 8.1430 118.8713 58.7532 30.0002 176.8942 104 T 4.3198 7.8472 104.7096 60.5979 70.1238 175.2596 105 G 3.9080 8.4805 110.2255 45.4922 0.0000 173.7184 106 E 4.1288 7.7512 119.1358 56.3630 30.2148 175.8113 107 A 5.1625 7.8135 121.8000 51.6326 23.5618 177.3090 108 D 4.2694 8.6924 121.4347 55.0787 41.1631 175.6767 109 E 3.8766 9.3316 127.2172 60.6262 29.1015 178.9727 110 A 4.0059 7.5976 119.0389 54.3554 18.4722 177.9699 111 A 4.3049 7.9542 117.4634 52.7336 19.0453 177.5204 112 L 4.2154 7.5225 121.5414 54.8390 41.7207 176.7074 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 1 M 8.16 4.56 0.00 1.96 2.14 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 2 K 8.99 4.70 0.00 1.83 1.61 0.00 1.58 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.51 7.81 3 L 9.47 5.00 0.00 1.67 1.54 0.94 0.75 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 4 V 8.70 4.75 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 0.93 0.00 0.00 0.95 0.00 0.00 5 T 8.94 5.23 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 1.30 0.00 0.00 6 V 8.98 4.84 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 1.04 0.00 0.00 0.95 0.00 0.00 7 I 8.72 5.04 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.59 0.99 0.00 0.00 8 I 8.83 5.05 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.11 0.89 0.00 0.00 9 K 8.47 4.42 0.00 1.75 2.00 0.00 1.78 0.00 0.00 2.17 0.00 0.00 3.00 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.64 1.62 7.81 10 P 0.00 4.27 0.00 2.24 2.17 0.00 3.71 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 11 F 8.46 4.42 0.00 3.22 3.16 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 0.00 0.00 0.00 12 K 7.38 3.89 0.00 1.52 1.57 0.00 1.42 0.00 0.00 1.14 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.30 1.21 7.81 13 L 7.91 3.95 0.00 1.90 1.64 0.92 0.77 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 14 E 8.15 4.02 0.00 2.01 1.95 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 2.32 1.98 0.00 15 D 7.89 4.52 0.00 2.78 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 16 V 7.84 3.59 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 0.98 0.00 0.00 0.96 0.00 0.00 17 R 8.36 3.85 0.00 1.88 2.12 0.00 3.31 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 18 E 8.25 3.94 0.00 2.24 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 2.33 2.48 0.00 19 A 8.07 4.06 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 20 L 7.73 4.14 0.00 2.09 1.85 0.92 0.81 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 21 S 8.32 4.23 0.00 4.05 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 22 S 8.03 4.29 0.00 4.07 4.19 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 23 I 6.86 4.32 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 1.46 0.77 0.91 0.00 0.00 24 G 8.05 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 25 I 7.60 4.04 2.01 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 1.30 0.75 0.91 0.00 0.00 26 Q 8.50 4.27 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.44 2.27 0.00 27 G 7.89 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 0.00 0.00 0.00 28 L 8.11 5.10 0.00 1.48 1.52 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.77 4.62 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 1.20 0.00 0.00 30 V 8.52 4.92 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 0.81 0.00 0.00 0.93 0.00 0.00 31 T 8.74 4.74 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 1.19 0.00 0.00 32 E 8.78 4.57 0.00 1.82 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 2.28 2.32 0.00 33 V 8.67 4.60 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 0.70 0.00 0.00 0.92 0.00 0.00 34 K 8.37 5.01 0.00 1.30 1.49 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.71 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.18 1.11 7.81 35 G 9.07 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 36 F 8.64 5.22 0.00 3.01 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 37 G 8.81 4.08 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 0.00 0.00 0.00 38 R 7.44 4.60 0.00 1.80 1.81 0.00 3.02 0.00 0.00 3.02 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 39 Q 8.26 4.54 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.92 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 40 K 8.37 4.14 0.00 1.77 1.61 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.02 7.81 41 G 8.09 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 *42 H 8.74 4.22 0.00 2.94 2.87 0.00 7.21 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.42 4.07 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 44 E 8.52 4.51 0.00 1.88 1.85 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 2.17 2.44 0.00 45 L 8.46 4.17 0.00 1.63 1.58 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 *46 Y 8.46 3.55 0.00 2.34 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 0.00 0.00 0.00 47 R 7.99 3.94 0.00 1.85 1.95 0.00 3.19 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 48 G 8.07 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 49 A 7.95 3.96 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 50 E 7.76 4.50 0.00 1.86 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 2.19 2.36 0.00 51 Y 8.38 4.79 0.00 2.96 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 52 S 8.32 4.75 0.00 3.80 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 53 V 7.64 4.38 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 0.45 0.00 0.00 0.78 0.00 0.00 54 N 8.59 5.19 0.00 2.79 2.77 0.00 0.00 7.13 7.45 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 55 F 8.70 4.05 0.00 2.82 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 56 L 9.27 4.99 0.00 1.59 1.56 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.89 0.00 2.08 2.06 0.00 3.74 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 2.01 2.01 0.00 58 K 9.22 4.86 0.00 1.62 1.82 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.53 7.81 59 V 8.90 4.61 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 1.00 0.00 0.00 0.94 0.00 0.00 60 K 9.00 4.98 0.00 1.85 1.78 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.41 7.81 61 I 8.84 4.87 1.88 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 1.23 0.63 0.91 0.00 0.00 62 D 9.36 5.56 0.00 2.53 2.54 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 63 V 8.62 4.78 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 0.70 0.00 0.00 1.00 0.00 0.00 64 A 8.69 5.00 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 65 I 8.91 4.77 2.00 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 1.30 1.31 0.92 0.00 0.00 66 A 9.13 4.60 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 67 D 9.12 4.43 0.00 2.79 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 68 D 8.33 4.39 0.00 2.69 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 69 Q 7.77 4.27 0.00 2.31 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.73 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 70 L 7.72 3.90 0.00 2.04 1.71 0.92 1.14 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 71 D 8.26 4.46 0.00 2.72 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 72 E 8.07 4.04 0.00 1.97 1.95 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 2.31 1.93 0.00 73 V 8.10 3.76 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 0.97 0.00 0.00 0.97 0.00 0.00 74 I 8.11 3.67 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 1.39 0.57 0.88 0.00 0.00 75 D 8.04 4.29 0.00 2.94 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 76 I 7.98 3.75 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 1.41 0.56 0.91 0.00 0.00 77 V 7.95 3.72 2.29 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 0.95 0.00 0.00 0.97 0.00 0.00 78 S 8.45 4.16 0.00 3.83 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 79 K 7.91 3.91 0.00 1.95 1.86 0.00 1.67 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.52 7.81 80 A 7.77 4.13 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 81 A 8.34 4.06 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 82 Y 7.56 4.27 0.00 3.08 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 83 T 7.73 4.29 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 1.33 0.00 0.00 84 G 7.59 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 0.00 0.00 0.00 85 K 6.92 4.14 0.00 1.75 1.61 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.71 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.39 1.25 7.81 86 I 7.95 3.75 1.87 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 1.36 1.23 0.91 0.00 0.00 87 G 8.85 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 88 D 7.97 4.27 0.00 2.66 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 G 7.52 4.34 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 0.00 90 K 8.40 4.61 0.00 1.46 0.79 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.24 1.38 7.81 91 I 7.83 4.89 1.75 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 1.31 0.54 0.87 0.00 0.00 92 F 9.31 4.92 0.00 2.93 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 93 V 8.59 4.95 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 0.82 0.00 0.00 0.95 0.00 0.00 94 A 8.99 4.91 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 95 E 8.74 4.49 0.00 1.98 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 2.27 2.40 0.00 96 L 8.37 4.55 0.00 1.58 1.57 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 97 Q 9.21 4.02 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 98 R 7.51 4.92 0.00 1.81 1.61 0.00 3.26 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 99 V 8.34 4.51 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 0.99 0.00 0.00 0.93 0.00 0.00 100 I 8.38 4.92 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 1.23 0.67 0.91 0.00 0.00 101 R 8.62 4.12 0.00 1.92 1.82 0.00 3.11 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 102 I 8.72 3.67 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 1.30 0.64 0.91 0.00 0.00 103 R 8.14 4.03 0.00 1.76 1.95 0.00 3.19 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 1.61 1.62 0.00 104 T 7.85 4.32 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 0.00 105 G 8.48 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 0.00 106 E 7.75 4.13 0.00 2.02 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 2.33 2.26 0.00 107 A 7.81 5.16 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 0.00 108 D 8.69 4.27 0.00 2.82 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 0.00 0.00 0.00 109 E 9.33 3.88 0.00 2.07 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 2.41 2.41 0.00 110 A 7.60 4.01 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 0.00 111 A 7.95 4.30 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 0.00 112 L 7.52 4.22 0.00 1.60 1.59 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.