NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2551 8.2649 123.5748 52.0166 19.9412 175.6627 2 Q 4.2716 8.2766 118.6026 53.7550 29.8882 170.6057 3 V 4.3952 8.7620 122.6399 61.2641 35.5570 173.8085 4 I 4.4875 8.5068 127.2390 59.8601 39.5771 174.7660 5 N 5.1263 8.8107 120.3151 50.8095 38.6898 174.0035 6 T 4.5843 7.5999 109.4732 60.5136 72.0732 175.0426 7 F 4.2643 8.3313 120.5479 61.4017 38.9507 177.8603 8 D 4.5516 8.3170 117.8219 57.2853 40.7271 179.0183 9 G 3.6319 8.6163 106.8937 47.6616 0.0000 176.0724 10 V 3.7233 8.4702 120.8343 65.5802 31.5820 177.9957 11 A 4.0868 8.4118 120.8325 55.3323 18.2490 179.3223 12 D 4.3046 8.4516 117.5617 57.6680 40.8820 178.4621 13 Y 4.0756 8.3299 120.0159 60.5791 38.7384 177.8717 14 L 4.0810 8.3721 120.2619 58.2325 41.6004 179.7311 15 Q 3.7746 7.7725 116.1906 58.7045 28.6432 178.6533 16 T 3.6214 7.4039 116.1742 66.1045 68.7461 175.9335 17 Y 4.1437 7.6389 114.9865 56.7195 39.0279 175.1090 18 H 2.6164 7.7370 116.7058 55.4321 26.7538 174.1461 19 K 4.5444 7.3229 113.9474 56.3092 34.7515 174.6802 20 L 4.3115 8.4545 119.8158 53.4380 42.1158 175.4813 21 P 3.8135 0.0000 0.0000 62.6896 31.6650 176.9742 22 D 4.6561 8.3613 118.5340 54.5711 39.5723 176.1694 23 N 4.6400 7.8767 117.3278 53.4230 38.3823 173.5162 24 Y 5.2173 7.7119 117.5690 56.5736 40.5028 174.8002 25 I 4.9725 8.5983 116.5361 59.0568 41.5219 175.3468 26 T 4.4059 9.0670 114.0645 60.9878 69.8674 175.5571 27 A 4.0961 9.0690 124.0596 55.5761 18.3013 180.1250 28 S 4.1323 8.1273 111.1345 61.5082 62.0430 175.9656 29 E 4.0036 8.4178 121.1909 59.2633 29.1597 179.1675 30 A 4.0246 8.3950 121.1140 55.3959 18.4523 179.6721 31 Q 4.2951 8.7378 116.6596 59.2497 28.5915 179.0307 32 A 4.2522 8.0354 120.5890 54.5508 18.4761 178.7391 33 L 4.3753 7.2887 114.5405 54.7613 42.0914 177.4803 34 G 4.1691 8.2264 107.8464 44.7601 0.0000 173.9422 35 W 4.4155 8.3131 130.1318 57.2427 31.2814 175.7172 36 V 3.8194 8.7885 124.7657 60.5253 32.3886 175.4401 37 A 3.4532 7.5477 131.5620 55.0796 18.1031 179.6443 38 S 4.3982 7.7306 108.1554 60.7793 63.2358 175.4419 39 K 4.1247 7.9553 119.9412 56.8057 32.0717 177.0547 40 G 3.0126 7.5930 106.7742 46.4927 0.0000 173.6138 41 N 4.9575 7.9651 113.8211 52.1029 38.3098 176.4300 42 L 3.8511 8.4078 122.7320 59.2389 41.8107 178.1631 43 A 4.2279 8.0165 118.9789 55.1604 18.3481 178.8869 44 D 4.4368 7.9017 116.9761 57.0431 41.0200 178.4504 45 V 4.2547 7.7500 110.0202 61.3373 34.0601 176.5270 46 A 4.6591 8.3474 122.0089 49.5972 19.5653 172.6833 47 P 4.5099 0.0000 0.0000 63.5248 32.0734 178.1735 48 G 3.8475 8.9643 110.7468 45.0112 0.0000 172.9082 49 K 4.6926 7.5657 118.4109 55.1424 34.1371 176.0126 50 S 4.6664 8.4914 117.5646 56.3807 67.4560 173.5593 51 I 4.1658 7.9000 122.8941 61.5744 37.7988 175.4371 52 G 4.2119 9.4870 112.1938 46.8929 0.0000 173.8642 53 G 4.5220 9.7708 110.4335 44.3447 0.0000 173.9684 54 D 4.7002 7.8964 119.5014 53.7757 42.3646 175.8101 55 I 4.1603 8.3958 122.0591 61.8348 37.8710 175.0956 56 F 4.8655 8.8951 129.5616 56.7351 40.3986 175.5572 57 S 4.1269 8.3122 121.2082 57.9875 63.8004 173.2930 58 N 3.3574 5.8286 118.7404 54.3267 36.8277 175.3935 59 R 3.8027 7.1737 116.5216 58.8761 29.7391 178.1006 60 E 4.2524 8.1013 115.4606 55.4301 29.9081 176.5387 61 G 3.7791 7.6485 106.7587 46.4459 0.0000 175.6057 62 K 4.0399 7.3247 118.5928 57.9647 32.3974 177.8147 63 L 3.7473 7.1704 118.3079 51.9146 42.5861 174.6522 64 P 4.2942 0.0000 0.0000 62.9341 31.6215 176.3326 65 G 4.2086 8.3771 112.0677 44.3158 0.0000 172.4265 66 K 4.4585 8.0393 118.5575 54.7217 35.0326 175.1712 67 S 4.2243 8.6122 121.5605 60.5354 63.0731 174.7603 68 G 3.9172 9.0437 113.6848 44.9920 0.0000 173.1135 69 R 4.1568 7.7282 120.5547 55.1709 31.1255 175.2916 70 T 4.7589 8.1213 114.5249 59.6632 72.3985 172.7455 71 W 5.0714 8.6070 120.9368 55.1011 33.3542 174.5495 72 R 5.3254 8.6265 119.7621 54.5542 34.4450 173.9406 73 E 5.3086 9.0914 117.4003 55.0322 33.7542 174.1988 74 A 4.9794 8.8271 120.4716 50.5180 22.9606 175.5893 75 D 5.0106 9.2206 121.6355 54.4817 41.5061 176.0891 76 I 4.5157 8.2836 122.1370 60.1863 40.7990 175.8677 77 N 4.3317 8.8399 120.7078 54.1212 36.7337 173.8172 78 Y 4.3854 7.3122 119.9047 57.2383 39.8815 175.3209 79 T 3.9728 7.1397 121.0859 64.4340 70.8898 173.8070 80 S 4.1832 6.3532 110.6202 59.2077 65.5039 175.1797 81 G 3.7720 8.5415 107.6281 44.7504 0.0000 173.2181 82 F 4.3170 8.6508 117.4875 57.0875 39.7005 175.6636 83 R 4.3644 8.7127 122.5914 56.4332 30.7613 176.5531 84 N 5.0573 8.4895 117.9154 52.0848 40.0283 175.1606 85 S 4.7116 8.5728 114.7201 58.8158 64.5769 172.7152 86 D 5.5237 8.6966 121.5889 53.3466 42.7857 175.7609 87 R 5.0081 9.3080 121.1214 54.7046 35.3992 173.5914 88 I 5.1103 8.9770 122.2027 59.3946 40.8173 174.1237 89 L 5.4827 9.4200 129.2782 53.1133 44.6558 175.0796 90 Y 5.7154 8.8972 121.6727 55.5823 41.7085 175.2373 91 S 4.3476 8.5200 118.2452 56.3906 65.1511 175.1636 92 S 3.4376 7.9897 114.4496 59.9392 62.7640 174.7134 93 D 4.5515 7.2258 119.4615 52.4519 39.2848 175.9677 94 W 3.7713 7.0053 116.8030 58.3169 27.2065 174.5467 95 L 4.4514 7.7750 118.0933 54.9752 42.5979 176.3418 96 I 5.4542 8.5339 122.0965 60.0604 40.8251 174.0589 97 Y 5.3297 9.8091 124.4030 56.0014 42.2780 174.5573 98 K 5.2714 9.3262 119.9258 55.5705 36.6561 174.8609 99 T 4.8512 9.0735 115.2714 60.5748 70.6742 174.1227 100 T 5.0334 8.8795 115.1580 60.3488 69.8197 173.5466 101 D 4.7910 7.4471 122.1609 53.9404 40.3766 174.9221 102 H 3.7473 8.6020 114.4758 58.8905 28.3952 173.8217 103 Y 3.1015 7.4417 111.6312 58.7835 36.6168 171.7217 104 Q 4.1643 7.8313 120.9149 58.3509 28.9836 176.7933 105 T 4.6892 8.4450 105.8270 59.5611 71.7182 172.8786 106 F 5.1424 8.7427 121.1301 56.0898 42.3917 174.5931 107 T 4.7136 8.9686 118.9482 61.3352 71.4622 173.4691 108 K 3.6293 8.6626 128.3290 56.1133 32.5251 176.3833 109 I 4.2408 8.5209 121.3485 61.3732 38.8702 176.3399 *110 R 4.1265 7.8325 124.5039 56.6718 29.9385 180.3760 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 A 8.26 4.26 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 2 Q 8.28 4.27 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.62 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 3 V 8.76 4.40 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 0.69 0.00 0.00 0.83 0.00 0.00 4 I 8.51 4.49 1.68 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.65 0.93 0.00 0.00 5 N 8.81 5.13 0.00 2.76 2.81 0.00 0.00 6.41 7.22 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 6 T 7.60 4.58 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 1.20 0.00 0.00 7 F 8.33 4.26 0.00 3.16 3.11 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 0.00 0.00 0.00 0.00 8 D 8.32 4.55 0.00 2.76 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 9 G 8.62 3.63 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 0.00 0.00 0.00 10 V 8.47 3.72 2.21 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 1.02 0.00 0.00 1.08 0.00 0.00 11 A 8.41 4.09 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.45 4.30 0.00 3.00 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 13 Y 8.33 4.08 0.00 3.29 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 14 L 8.37 4.08 0.00 1.97 1.78 0.61 0.69 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 15 Q 7.77 3.77 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.98 0.00 0.00 0.00 0.00 0.00 2.51 2.59 0.00 16 T 7.40 3.62 3.43 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 0.16 0.00 0.00 17 Y 7.64 4.14 0.00 2.48 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 18 H 7.74 2.62 0.00 2.98 3.13 0.00 5.71 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.32 4.54 0.00 1.94 1.86 0.00 1.68 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.63 7.81 20 L 8.45 4.31 0.00 1.72 1.66 0.87 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 3.81 0.00 2.25 1.36 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.39 0.00 22 D 8.36 4.66 0.00 2.77 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 23 N 7.88 4.64 0.00 2.66 3.10 0.00 0.00 6.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 7.71 5.22 0.00 2.99 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 25 I 8.60 4.97 1.94 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.83 0.89 0.00 0.00 26 T 9.07 4.41 4.51 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 27 A 9.07 4.10 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 28 S 8.13 4.13 0.00 3.96 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 29 E 8.42 4.00 0.00 2.22 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 2.36 2.37 0.00 30 A 8.40 4.02 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 31 Q 8.74 4.30 0.00 2.35 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.47 2.90 0.00 32 A 8.04 4.25 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 33 L 7.29 4.38 0.00 1.88 1.75 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.23 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 0.00 0.00 0.00 35 W 8.31 4.42 0.00 3.20 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 36 V 8.79 3.82 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 0.80 0.00 0.00 0.92 0.00 0.00 37 A 7.55 3.45 0.78 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 0.00 0.00 38 S 7.73 4.40 0.00 4.03 4.01 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 39 K 7.96 4.12 0.00 1.91 1.90 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.35 7.81 40 G 7.59 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 0.00 0.00 0.00 41 N 7.97 4.96 0.00 3.06 3.03 0.00 0.00 5.74 6.67 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 42 L 8.41 3.85 0.00 1.34 1.70 0.20 0.40 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 43 A 8.02 4.23 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 44 D 7.90 4.44 0.00 2.90 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 45 V 7.75 4.25 2.34 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 0.89 0.00 0.00 1.08 0.00 0.00 46 A 8.35 4.66 1.12 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 47 P 0.00 4.51 0.00 2.16 2.15 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 48 G 8.96 3.85 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 0.00 0.00 0.00 49 K 7.57 4.69 0.00 1.64 1.60 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.68 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.59 1.47 7.81 50 S 8.49 4.67 0.00 3.13 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 51 I 7.90 4.17 1.71 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.40 0.90 0.00 0.00 52 G 9.49 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 0.00 0.00 0.00 0.00 53 G 9.77 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.90 4.70 0.00 2.72 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 55 I 8.40 4.16 1.89 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 1.25 0.74 0.91 0.00 0.00 56 F 8.90 4.87 0.00 2.94 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 57 S 8.31 4.13 0.00 3.63 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 58 N 5.83 3.36 0.00 2.45 2.45 0.00 0.00 7.17 7.65 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 59 R 7.17 3.80 0.00 1.64 1.84 0.00 3.05 0.00 0.00 3.08 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.31 0.00 60 E 8.10 4.25 0.00 2.03 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 2.28 0.00 61 G 7.65 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 0.00 0.00 0.00 62 K 7.32 4.04 0.00 1.69 1.95 0.00 2.10 0.00 0.00 1.94 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.46 7.81 63 L 7.17 3.75 0.00 0.40 0.13 -0.62 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.29 0.00 2.33 2.16 0.00 3.30 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.14 0.00 65 G 8.38 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 0.00 0.00 0.00 0.00 66 K 8.04 4.46 0.00 1.77 1.58 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.43 7.81 67 S 8.61 4.22 0.00 3.88 3.80 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 68 G 9.04 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 69 R 7.73 4.16 0.00 1.59 1.85 0.00 3.22 0.00 0.00 2.60 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.15 0.00 70 T 8.12 4.76 4.16 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 1.15 0.00 0.00 71 W 8.61 5.07 0.00 3.54 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 72 R 8.63 5.33 0.00 0.67 1.38 0.00 3.03 0.00 0.00 3.42 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.34 0.00 73 E 9.09 5.31 0.00 2.02 1.80 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 2.39 2.37 0.00 74 A 8.83 4.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 9.22 5.01 0.00 2.68 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 76 I 8.28 4.52 1.35 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 1.33 1.03 -0.19 0.00 0.00 77 N 8.84 4.33 0.00 2.79 2.88 0.00 0.00 6.88 7.02 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 78 Y 7.31 4.39 0.00 2.91 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 79 T 7.14 3.97 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 1.04 0.00 0.00 80 S 6.35 4.18 0.00 3.82 3.64 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 81 G 8.54 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 0.00 0.00 0.00 82 F 8.65 4.32 0.00 3.21 3.14 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 83 R 8.71 4.36 0.00 1.96 1.94 0.00 3.28 0.00 0.00 3.56 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.66 0.00 84 N 8.49 5.06 0.00 2.86 2.96 0.00 0.00 5.99 7.64 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 85 S 8.57 4.71 0.00 4.00 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 86 D 8.70 5.52 0.00 2.90 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 87 R 9.31 5.01 0.00 1.56 1.76 0.00 3.50 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.18 0.00 88 I 8.98 5.11 2.13 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.90 1.07 0.00 0.00 89 L 9.42 5.48 0.00 1.62 1.41 0.28 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 8.90 5.72 0.00 3.12 3.14 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 91 S 8.52 4.35 0.00 2.72 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 92 S 7.99 3.44 0.00 3.70 3.71 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 93 D 7.23 4.55 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 94 W 7.01 3.77 0.00 3.51 3.38 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 95 L 7.78 4.45 0.00 1.75 1.97 1.10 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.53 5.45 1.98 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.24 1.10 0.00 0.00 97 Y 9.81 5.33 0.00 2.88 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 98 K 9.33 5.27 0.00 1.20 1.62 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.54 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.05 1.05 7.81 99 T 9.07 4.85 3.68 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 0.86 0.00 0.00 100 T 8.88 5.03 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 1.28 0.00 0.00 101 D 7.45 4.79 0.00 2.84 2.82 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 0.00 102 H 8.60 3.75 0.00 3.27 3.37 0.00 5.89 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.44 3.10 0.00 3.18 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 0.00 104 Q 7.83 4.16 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 105 T 8.45 4.69 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 0.00 106 F 8.74 5.14 0.00 2.93 3.09 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 0.00 107 T 8.97 4.71 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 1.15 0.00 0.00 108 K 8.66 3.63 0.00 1.03 1.46 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.16 0.76 7.81 109 I 8.52 4.24 1.85 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.88 0.79 0.00 0.00 *110 R 7.83 4.13 0.00 1.65 1.94 0.00 3.36 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.75 0.00 * Residues marked with a * may have inaccurate shift predictions.