NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2566 0.0000 0.0000 62.6952 31.5364 175.3698 3 R 4.1366 8.3871 124.9227 54.2345 30.8825 175.3636 4 A 4.4326 8.0851 133.0423 50.1446 18.3574 175.9451 5 K 4.1691 7.6612 121.0742 56.1265 33.6443 178.2628 6 T 3.9858 8.6932 116.8507 66.3421 69.5628 175.9159 7 G 4.0341 7.7064 108.1277 46.8236 0.0000 176.4453 8 V 4.1842 8.2407 125.1623 61.9038 33.4334 177.8855 9 V 3.5898 7.3877 120.5856 66.0667 31.1374 177.9273 10 R 3.8869 7.8929 117.5678 59.5828 30.0264 177.9879 11 R 3.9061 7.5771 117.0541 60.3911 29.7626 177.6364 12 R 4.0514 8.3016 117.7639 57.7639 29.5167 179.0637 13 K 4.1862 7.9806 116.8045 59.9466 32.3279 178.7363 14 H 4.3788 8.0014 116.8555 58.7792 28.5948 178.0292 15 K 4.1601 7.9203 120.0962 59.3050 32.2346 179.2771 16 K 3.9990 7.9842 119.6995 59.0011 32.1271 178.9647 17 I 3.9442 7.3246 119.4503 64.2121 37.1868 178.1017 18 L 3.9943 8.2158 120.0701 57.5765 41.3486 179.7794 19 K 3.9510 7.7334 119.8370 59.4866 32.1075 178.5198 20 L 4.1138 7.6835 116.2313 56.2239 41.7168 178.3443 21 A 4.0095 7.5973 121.1546 52.3514 19.0622 177.3816 22 K 3.6985 7.1438 116.0864 58.1507 32.5328 177.3142 23 G 3.8923 8.7326 110.1401 45.6861 0.0000 173.3344 24 Y 4.8616 7.3857 117.1393 57.2706 38.8619 175.2247 25 W 4.2505 8.9700 131.5220 57.9449 32.0151 177.5778 26 G 3.8918 7.7556 111.0775 46.5172 0.0000 173.4344 27 L 3.7158 8.5534 117.5142 57.1157 42.1987 179.2369 28 R 4.2099 8.2602 118.1630 57.9039 30.2238 178.1532 29 S 4.7523 8.9669 112.5464 58.3342 64.4133 174.8192 30 K 4.5439 7.3415 119.2661 55.2001 32.5802 176.5375 31 S 4.3004 8.0500 116.6750 56.7046 64.1541 174.6933 *32 F 3.9147 8.7340 131.1004 61.2211 37.6668 172.9242 33 R 4.6348 7.6832 112.0892 58.4594 30.3976 178.2644 34 K 4.1899 8.1073 118.4558 58.5926 31.9228 178.8302 35 A 4.2662 8.2670 123.1588 54.3861 18.7365 179.2157 36 R 3.5937 7.9431 116.3614 59.9569 29.7416 177.9848 37 E 4.2075 8.7285 118.4091 59.6732 29.4555 179.0404 38 T 3.7410 7.6368 114.7101 66.9272 68.1030 176.2055 39 L 3.9186 8.0105 120.3246 58.4031 41.3299 179.5815 40 F 4.2731 7.7702 116.6024 60.8830 38.9781 178.0564 41 A 3.8215 8.0202 119.9326 55.0160 17.8495 179.5173 42 A 3.6110 8.0512 119.7330 55.2410 18.3092 180.0059 43 G 3.7235 9.2433 104.7183 48.0124 0.0000 175.3722 44 N 4.5204 7.7651 117.9107 56.0542 38.5604 177.0386 45 Y 4.2902 7.9347 117.7911 61.7669 37.9400 177.5650 46 A 4.1233 8.1193 120.2782 54.9454 17.7686 178.6676 47 Y 4.5408 8.1206 114.8644 60.7848 39.3329 179.4446 48 A 3.6588 8.2414 121.2282 55.2337 18.5191 178.9285 49 H 4.4236 9.4255 114.8759 58.6472 28.6609 176.9258 50 R 4.2823 8.4988 121.7052 57.0699 29.6455 178.2589 51 K 3.9200 7.8019 123.3276 60.0367 32.7432 178.4365 52 R 3.7356 8.8262 117.0306 58.1796 28.9770 179.7629 53 R 4.7382 7.1312 122.1263 61.5220 31.3906 177.6550 54 K 4.0578 7.7752 119.0788 59.5112 32.1256 178.5666 55 R 4.3178 8.5649 112.4620 56.7283 30.3451 177.7277 56 D 4.3390 9.4928 120.5808 57.6546 41.0120 178.5751 57 F 3.5628 8.0368 117.4276 59.8092 38.6323 177.6091 58 R 3.7543 7.0124 117.0473 59.0700 30.0041 178.3114 59 R 4.1267 7.6408 118.2768 58.0247 30.4509 178.3402 60 L 3.8602 7.4631 117.7547 58.1659 41.7058 179.5069 61 W 4.7410 8.0978 118.4022 60.4209 29.0051 178.7998 62 I 4.1340 8.5940 119.6669 64.2591 36.6659 178.4593 63 V 3.6230 7.8361 118.6084 66.1510 31.2537 177.9529 64 R 3.9301 8.0969 117.3652 59.3216 29.9695 178.7115 65 I 4.0328 7.7692 119.6008 65.7048 37.3086 176.9427 66 N 4.6392 9.2579 117.3804 55.6115 38.3198 176.4249 67 A 4.1012 8.6639 126.1623 55.1853 19.1756 179.4969 68 A 4.0375 8.9134 120.1230 55.4256 18.7916 179.4998 69 C 4.1819 8.5119 112.0734 60.4402 29.7158 175.4498 70 R 4.9514 8.3142 122.3322 58.2143 29.7707 177.5029 71 Q 4.1771 8.1564 118.6512 58.3771 28.9924 175.8842 72 H 4.8912 7.9430 116.1062 55.6694 29.2824 174.9923 73 G 4.3429 8.6759 114.7184 45.6771 0.0000 174.9823 74 L 4.3833 7.5676 119.9640 54.2660 42.2026 174.9064 75 N 5.2608 8.1723 116.3165 50.9701 40.8982 174.7062 76 Y 4.3134 8.7374 121.3341 61.2083 38.5117 178.3020 77 S 4.4577 8.4270 113.1050 62.1234 63.2938 175.9765 78 T 4.0669 8.1677 119.3969 66.1714 68.1973 175.7838 79 F 4.2326 8.3162 122.3655 61.9525 39.4908 177.6080 80 I 3.4950 7.8681 118.9707 64.4132 36.6889 177.9546 81 H 4.4179 8.9046 119.8652 59.6553 29.4165 176.4370 82 G 3.7261 8.2855 107.1541 46.3790 0.0000 174.6069 83 L 3.9935 8.0980 120.9669 57.6142 41.9793 179.1257 84 K 4.1810 7.9734 119.5552 58.6178 31.8831 178.3119 85 K 4.3904 8.8228 120.0598 56.9266 32.8275 177.6628 86 A 4.4006 8.3680 122.9471 51.4079 20.7169 178.8044 87 G 3.9722 8.4978 102.0234 45.3096 0.0000 174.0425 88 I 4.2233 6.7132 113.2988 59.6533 36.4995 177.9738 89 E 4.2933 7.5288 122.7818 55.5693 29.6667 175.2669 90 V 3.7435 7.8659 120.2091 62.4736 32.0910 180.1661 91 D 3.3700 8.9881 115.1068 50.6875 45.3248 170.2698 92 R 3.7905 6.5899 130.8116 56.9085 28.4072 179.0046 93 K 4.5621 7.6384 121.2642 58.7700 32.9200 176.5173 94 N 2.0000 7.1370 115.6192 56.5091 38.6027 175.6884 95 L 4.1953 7.9126 115.1788 55.3127 41.1234 177.2611 96 A 4.7654 8.0169 121.2236 51.5470 18.7252 178.8764 97 D 4.7124 7.6419 115.0861 55.0606 39.3456 177.8862 98 L 5.0913 7.9425 115.9177 55.9111 41.2463 177.4728 99 A 3.2798 7.9365 123.6776 53.2628 19.4470 179.2357 100 V 3.8084 7.5465 113.8038 63.7385 32.4611 175.8650 101 R 4.4055 7.6220 118.9788 55.2049 32.4181 174.8441 102 E 3.8800 8.6150 123.2981 56.3314 26.0797 173.2952 103 P 4.2509 0.0000 0.0000 66.6623 31.5274 177.9693 104 Q 4.0412 8.2927 117.4617 58.6343 28.3069 179.4746 105 V 3.6134 7.8204 118.3818 66.4695 31.7832 177.0964 106 F 3.9015 8.5284 119.1455 61.5569 38.9640 176.2922 107 A 3.8633 9.3754 120.1276 55.5830 18.1257 179.0754 108 E 3.8837 8.0820 116.7225 59.5393 29.8440 179.0444 109 L 4.0807 9.0561 119.8575 58.8867 41.7086 179.0656 110 V 3.0081 7.5370 114.9348 66.6859 31.3913 177.2384 111 E 3.7289 8.2025 121.2642 59.5613 30.0230 179.6404 112 R 4.0532 8.5671 118.4677 59.0700 29.9930 178.4208 113 A 4.2344 8.7436 121.7958 54.4542 18.4338 179.4814 114 K 4.0214 7.8110 111.5149 58.0255 32.4710 177.5634 115 A 4.3159 8.5342 122.5056 54.2674 20.0303 179.5513 116 A 4.1075 7.3537 116.7866 54.5306 18.5450 178.1275 117 Q 4.6219 7.8440 112.8869 55.3184 30.2935 175.6087 118 G 3.8665 8.3519 113.8067 45.9693 0.0000 174.1543 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 P 0.00 4.26 0.00 2.19 2.18 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 3 R 8.39 4.14 0.00 1.85 1.88 0.00 3.22 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 4 A 8.09 4.43 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 5 K 7.66 4.17 0.00 1.87 1.84 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.47 7.81 6 T 8.69 3.99 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 7 G 7.71 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 0.00 0.00 0.00 8 V 8.24 4.18 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 0.80 0.00 0.00 0.93 0.00 0.00 9 V 7.39 3.59 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 0.97 0.00 0.00 0.98 0.00 0.00 10 R 7.89 3.89 0.00 1.90 1.89 0.00 3.26 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 11 R 7.58 3.91 0.00 1.97 1.94 0.00 3.15 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 12 R 8.30 4.05 0.00 2.00 1.85 0.00 3.21 0.00 0.00 3.33 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.95 0.00 13 K 7.98 4.19 0.00 1.91 1.80 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.64 7.81 14 H 8.00 4.38 0.00 3.15 3.29 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.92 4.16 0.00 1.92 2.07 0.00 1.31 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.75 1.48 7.81 16 K 7.98 4.00 0.00 1.93 1.90 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.59 7.81 17 I 7.32 3.94 1.99 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 1.49 0.82 0.86 0.00 0.00 18 L 8.22 3.99 0.00 1.63 1.73 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.73 3.95 0.00 1.97 1.88 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.45 7.81 20 L 7.68 4.11 0.00 1.75 1.70 0.90 0.93 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 21 A 7.60 4.01 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.14 3.70 0.00 1.61 1.70 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.51 7.81 23 G 8.73 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 24 Y 7.39 4.86 0.00 3.10 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 W 8.97 4.25 0.00 3.52 2.92 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 26 G 7.76 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 27 L 8.55 3.72 0.00 1.76 1.78 0.94 0.93 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 28 R 8.26 4.21 0.00 2.27 2.03 0.00 3.33 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 29 S 8.97 4.75 0.00 3.85 4.20 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 30 K 7.34 4.54 0.00 1.76 1.80 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.44 7.81 31 S 8.05 4.30 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 *32 F 8.73 3.91 0.00 2.41 2.23 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 33 R 7.68 4.63 0.00 2.03 2.19 0.00 2.98 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 1.58 1.69 0.00 34 K 8.11 4.19 0.00 1.88 1.98 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.55 1.49 7.81 35 A 8.27 4.27 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 36 R 7.94 3.59 0.00 1.91 2.04 0.00 3.26 0.00 0.00 3.39 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.27 0.00 37 E 8.73 4.21 0.00 2.26 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 2.47 2.54 0.00 38 T 7.64 3.74 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 0.61 0.00 0.00 39 L 8.01 3.92 0.00 1.59 1.64 0.84 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 40 F 7.77 4.27 0.00 3.37 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 41 A 8.02 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.05 3.61 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 43 G 9.24 3.72 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 0.00 0.00 0.00 44 N 7.77 4.52 0.00 2.97 3.00 0.00 0.00 6.89 7.14 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 45 Y 7.93 4.29 0.00 3.11 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 46 A 8.12 4.12 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 47 Y 8.12 4.54 0.00 3.08 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 48 A 8.24 3.66 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 49 H 9.43 4.42 0.00 3.35 3.42 0.00 5.81 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.50 4.28 0.00 2.15 1.92 0.00 3.32 0.00 0.00 3.25 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.98 0.00 51 K 7.80 3.92 0.00 1.57 1.88 0.00 1.82 0.00 0.00 1.89 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.66 1.35 7.81 52 R 8.83 3.74 0.00 1.95 1.91 0.00 3.20 0.00 0.00 3.02 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.67 0.00 53 R 7.13 4.74 0.00 2.13 2.03 0.00 3.11 0.00 0.00 3.39 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.09 0.00 54 K 7.78 4.06 0.00 2.00 1.88 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.22 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.43 7.81 55 R 8.56 4.32 0.00 1.77 2.00 0.00 3.02 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.54 0.00 56 D 9.49 4.34 0.00 2.85 2.46 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 57 F 8.04 3.56 0.00 2.16 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 58 R 7.01 3.75 0.00 1.77 1.98 0.00 3.12 0.00 0.00 3.23 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 59 R 7.64 4.13 0.00 1.98 1.80 0.00 3.07 0.00 0.00 3.09 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 60 L 7.46 3.86 0.00 1.44 1.78 0.76 0.89 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 61 W 8.10 4.74 0.00 3.48 3.31 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 62 I 8.59 4.13 2.03 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 1.74 0.85 0.58 0.00 0.00 63 V 7.84 3.62 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 1.11 0.00 0.00 0.96 0.00 0.00 64 R 8.10 3.93 0.00 2.05 1.99 0.00 3.33 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 65 I 7.77 4.03 2.36 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.10 1.17 0.00 0.00 66 N 9.26 4.64 0.00 3.17 3.01 0.00 0.00 7.12 7.73 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 67 A 8.66 4.10 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 68 A 8.91 4.04 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 69 C 8.51 4.18 0.00 2.73 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 70 R 8.31 4.95 0.00 1.98 2.23 0.00 3.15 0.00 0.00 3.04 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.53 0.00 71 Q 8.16 4.18 0.00 2.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.14 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 72 H 7.94 4.89 0.00 3.22 3.21 0.00 5.69 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 73 G 8.68 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 74 L 7.57 4.38 0.00 1.88 1.81 0.71 0.14 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 75 N 8.17 5.26 0.00 3.02 3.03 0.00 0.00 5.53 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 76 Y 8.74 4.31 0.00 3.20 3.03 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 77 S 8.43 4.46 0.00 4.18 4.14 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 78 T 8.17 4.07 4.47 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 1.27 0.00 0.00 79 F 8.32 4.23 0.00 3.16 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 80 I 7.87 3.49 1.96 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.76 0.87 0.00 0.00 81 H 8.90 4.42 0.00 3.21 3.48 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.29 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 0.00 0.00 0.00 83 L 8.10 3.99 0.00 1.52 1.63 1.08 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.97 4.18 0.00 2.15 1.81 0.00 1.51 0.00 0.00 1.55 0.00 0.00 3.14 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.47 7.81 85 K 8.82 4.39 0.00 1.61 1.66 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.42 7.81 86 A 8.37 4.40 1.28 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 87 G 8.50 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 88 I 6.71 4.22 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 1.16 0.79 0.88 0.00 0.00 89 E 7.53 4.29 0.00 1.92 1.90 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 2.26 2.25 0.00 90 V 7.87 3.74 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 0.83 0.00 0.00 0.87 0.00 0.00 91 D 8.99 3.37 0.00 2.68 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 92 R 6.59 3.79 0.00 2.06 1.87 0.00 3.25 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 93 K 7.64 4.56 0.00 2.41 2.49 0.00 1.75 0.00 0.00 1.95 0.00 0.00 3.18 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.80 1.70 7.81 94 N 7.14 2.00 0.00 1.44 2.21 0.00 0.00 7.15 6.66 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 95 L 7.91 4.20 0.00 1.84 1.58 0.83 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.02 4.77 1.45 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 0.00 0.00 0.00 97 D 7.64 4.71 0.00 2.88 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 98 L 7.94 5.09 0.00 2.07 1.97 0.96 0.69 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 99 A 7.94 3.28 0.58 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 0.00 0.00 100 V 7.55 3.81 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 0.83 0.00 0.00 0.89 0.00 0.00 101 R 7.62 4.41 0.00 1.88 1.81 0.00 3.28 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 102 E 8.61 3.88 0.00 2.23 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 2.30 2.25 0.00 103 P 0.00 4.25 0.00 2.29 2.34 0.00 3.73 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 104 Q 8.29 4.04 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.97 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 105 V 7.82 3.61 2.35 0.00 0.00 0.00 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 1.00 0.00 0.00 106 F 8.53 3.90 0.00 3.39 3.19 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 0.00 107 A 9.38 3.86 1.52 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 0.00 108 E 8.08 3.88 0.00 2.22 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 2.34 2.52 0.00 109 L 9.06 4.08 0.00 1.57 1.66 0.88 0.72 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 0.00 110 V 7.54 3.01 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 0.94 0.00 0.00 0.84 0.00 0.00 111 E 8.20 3.73 0.00 1.94 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 2.49 2.48 0.00 112 R 8.57 4.05 0.00 1.94 1.96 0.00 3.27 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.77 0.00 113 A 8.74 4.23 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 0.00 114 K 7.81 4.02 0.00 1.97 2.03 0.00 1.38 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.48 7.81 115 A 8.53 4.32 1.43 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 0.00 116 A 7.35 4.11 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 0.00 117 Q 7.84 4.62 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.04 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 118 G 8.35 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 * Residues marked with a * may have inaccurate shift predictions.