NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-5 H 4.6779 8.5445 117.3722 54.5963 29.6368 172.8787 *-4 H 4.7979 8.7367 121.3443 51.7401 30.3332 169.2701 *-3 H 4.9298 9.0446 119.4829 52.0566 32.7226 172.0096 -2 H 4.5834 8.6639 116.3864 56.7994 29.2194 175.1844 -1 H 4.8900 8.2659 120.8796 55.8854 32.8533 174.5341 *0 H 3.8421 9.0108 117.0732 56.8697 27.6450 176.7284 *-3 D 4.8398 8.9646 121.6829 51.2566 44.8226 174.2096 -2 L 4.1934 8.4039 119.9864 56.8994 42.6194 178.6844 -1 V 4.2800 7.8759 121.8796 63.0854 36.7533 176.7341 *0 E 3.4621 9.0108 119.0732 58.4697 28.5450 179.2284 6 K 3.9202 8.0920 123.1977 60.1444 31.6427 180.8697 7 V 3.7397 7.6308 118.6203 65.7206 31.1040 177.9553 8 K 3.9710 7.9384 118.9128 59.2929 32.0265 178.2989 9 E 3.9119 7.9423 119.3699 59.1476 29.5117 178.3146 10 L 3.9335 7.7009 119.1377 58.2101 42.3127 178.5066 11 C 4.1896 7.9114 116.4612 62.5613 27.9659 175.9662 12 L 4.0885 7.6762 122.1917 58.4033 40.9810 180.0923 13 E 4.4823 7.8342 113.5767 58.3862 29.4334 178.7861 14 L 4.7498 7.0614 117.8632 55.2767 43.8853 177.2388 15 E 3.8617 8.6216 113.4879 56.7397 28.3843 179.9591 16 E 4.7697 7.8643 119.3002 55.8606 29.0170 176.8833 17 E 4.0598 7.9098 120.1244 59.1670 30.1798 179.0801 18 N 4.2991 8.1080 117.3314 56.0465 38.8037 176.6010 19 L 3.9300 8.0053 121.0196 58.3018 42.2682 178.7566 20 A 4.0986 7.9679 122.6011 55.8307 18.2431 180.4449 21 K 4.0444 8.7162 122.2949 59.5178 31.5985 181.1972 22 A 4.2542 8.2683 121.0804 55.6330 18.3561 179.4635 23 I 3.9084 7.7967 117.9216 64.8161 37.2383 178.0652 24 E 3.9451 8.0812 119.3578 59.5858 29.5714 179.0543 25 R 3.9514 8.2759 118.7548 58.9247 30.0973 178.1835 26 F 3.7102 8.9753 121.4179 61.2416 39.1470 176.9489 27 I 3.7166 7.8140 118.0820 64.8550 36.9861 178.0967 28 T 3.9369 7.5520 115.0598 66.8907 68.4280 176.0389 29 L 4.0556 7.7557 122.0584 57.9250 43.0256 179.8402 30 T 4.2773 7.2913 118.0676 62.2251 64.9996 176.0550 *31 H 4.8839 7.6346 122.6909 56.0298 31.0447 178.5426 32 G 3.3736 7.8210 108.6651 47.3316 0.0000 175.2024 33 I 3.9139 7.8452 121.1467 63.5335 37.6793 176.9322 34 E 4.2707 7.7630 123.3962 59.3613 29.2417 179.6834 35 K 4.1137 8.3437 122.7918 59.0173 32.0561 180.3468 36 T 4.3997 7.5969 108.0192 63.7340 69.4570 176.2533 37 R 4.3345 8.1863 117.7948 54.3516 31.0544 175.9861 38 G 3.9054 7.7279 104.9309 44.6383 0.0000 174.3728 39 E 3.9893 8.7479 117.6414 58.8859 29.6538 178.0474 40 A 4.0239 8.0305 120.4158 55.0781 18.5127 179.1195 41 F 3.7702 8.2720 118.2957 61.3714 39.6801 176.7531 42 A 4.1413 8.2911 119.8062 55.5277 18.1437 179.6529 43 K 3.4301 8.1682 116.4634 59.2868 32.0151 179.5376 44 A 4.0468 7.9806 121.1749 54.9560 18.1708 180.0200 45 S 4.0897 7.8578 113.3574 61.8801 62.9368 176.9268 46 I 3.9329 7.6110 122.0124 64.6486 36.8596 178.2320 47 Y 4.5540 8.1142 117.8255 61.1320 37.6709 178.5730 48 G 3.7480 8.3009 106.7518 47.6927 0.0000 175.4261 49 F 3.9817 8.3256 122.9727 61.0847 39.3821 177.2381 50 L 3.7859 8.2136 118.9201 57.7929 41.3756 179.2235 51 E 4.1908 8.8404 119.7058 58.9363 29.5891 179.0674 52 G 3.4672 8.0432 106.2549 47.6293 0.0000 175.7763 53 I 3.5377 7.1360 121.5598 64.1455 37.3735 178.2867 54 L 4.0423 8.2590 120.0580 58.2525 41.1651 180.1562 55 T 3.8292 7.7542 114.8952 67.0160 68.6397 176.7172 56 T 4.0041 7.4983 112.7767 64.5767 67.1848 176.1467 57 L 4.1739 8.4363 121.6981 57.3027 42.4473 177.8508 58 K 4.2887 7.6469 121.6563 56.9191 30.5805 177.6201 *60 K 4.1898 7.6743 118.5384 54.2247 34.4168 177.0725 61 Y 4.7901 7.7428 116.1176 58.3495 41.8324 175.8017 62 S 4.6936 8.6135 117.0540 57.5592 62.8563 174.9475 63 N 4.2542 8.3925 120.7847 55.7532 38.7297 176.3734 64 E 4.0896 9.1128 124.8960 61.6047 29.7318 176.6493 65 K 4.1413 8.0550 123.5525 59.8843 31.6829 181.5734 66 I 4.0207 7.5427 122.9730 64.9499 37.0046 178.8644 67 E 3.9520 8.1282 118.3484 61.4480 29.5425 180.8239 68 T 3.9754 7.6175 114.4796 64.9367 67.3634 176.0839 69 L 4.1802 8.6234 124.4914 57.1647 41.9106 178.8828 70 L 3.9318 8.3582 123.3978 58.8616 42.1806 179.2276 71 N 4.3410 8.3233 119.3642 57.3279 37.1498 178.8978 72 E 4.0638 8.2659 119.6181 59.7491 29.7296 179.5642 73 V 3.4729 7.5898 120.5269 66.3730 31.4699 178.8580 74 K 4.0141 8.0724 123.6991 59.7932 31.4887 182.4308 75 T 3.9920 7.9172 116.6428 66.5485 68.3919 176.3679 76 A 3.9138 7.9628 122.8485 55.4221 18.1613 180.0186 77 R 3.9836 7.7213 115.5563 59.5744 30.0535 178.7383 78 E 3.9540 7.9315 116.9371 59.6792 29.6728 179.1223 79 E 4.0744 8.3603 118.8276 59.5780 29.5601 178.7330 80 T 3.9378 7.8139 114.6718 66.8181 68.7444 176.1423 81 E 4.1210 8.5496 117.1325 57.3742 30.1326 177.0812 82 A 4.1293 7.2901 123.6884 52.0529 19.0295 176.8200 83 L 4.6839 8.1262 122.0922 53.1308 43.6254 177.1015 84 L 3.9696 8.6707 124.0093 56.8910 41.9951 178.2599 85 R 4.2160 7.9765 120.0625 56.6654 29.2996 177.7240 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 *-5 H 8.54 4.68 0.00 2.95 2.94 0.00 7.13 0.00 0.00 0.00 0.00 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *-4 H 8.74 4.80 0.00 2.98 2.84 0.00 7.11 0.00 0.00 0.00 0.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *-3 H 9.04 4.93 0.00 2.87 2.81 0.00 7.17 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 H 8.66 4.58 0.00 3.12 3.20 0.00 5.57 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.27 4.89 0.00 3.13 3.18 0.00 5.85 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *0 H 9.01 3.84 0.00 3.05 2.99 0.00 7.23 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *-3 D 8.96 4.84 0.00 2.30 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 0.00 0.00 0.00 0.00 -2 L 8.40 4.19 0.00 1.45 1.66 0.92 1.28 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 -1 V 7.88 4.28 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 0.78 0.00 0.00 0.93 0.00 0.00 *0 E 9.01 3.46 0.00 1.82 1.79 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 2.18 2.13 0.00 6 K 8.09 3.92 0.00 1.75 1.85 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.10 7.81 7 V 7.63 3.74 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 0.92 0.00 0.00 0.89 0.00 0.00 8 K 7.94 3.97 0.00 2.05 1.93 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.53 7.81 9 E 7.94 3.91 0.00 2.12 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 2.35 2.34 0.00 10 L 7.70 3.93 0.00 1.70 1.79 0.83 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 11 C 7.91 4.19 0.00 3.21 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 12 L 7.68 4.09 0.00 1.87 1.70 0.92 0.94 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 13 E 7.83 4.48 0.00 2.08 1.82 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 2.26 2.22 0.00 14 L 7.06 4.75 0.00 1.59 1.36 0.21 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.62 3.86 0.00 2.14 1.92 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 2.15 2.14 0.00 16 E 7.86 4.77 0.00 1.96 1.87 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 2.24 2.23 0.00 17 E 7.91 4.06 0.00 2.20 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 0.00 2.37 2.41 0.00 18 N 8.11 4.30 0.00 2.77 2.93 0.00 0.00 6.79 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.01 3.93 0.00 1.76 1.82 0.90 1.26 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 20 A 7.97 4.10 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 21 K 8.72 4.04 0.00 1.73 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.33 7.81 22 A 8.27 4.25 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 3.91 2.13 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 1.62 0.87 1.06 0.00 0.00 24 E 8.08 3.95 0.00 2.29 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 0.00 2.33 2.36 0.00 25 R 8.28 3.95 0.00 1.96 2.10 0.00 3.16 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 26 F 8.98 3.71 0.00 2.72 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 27 I 7.81 3.72 2.05 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.02 0.94 0.00 0.00 28 T 7.55 3.94 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 1.17 0.00 0.00 29 L 7.76 4.06 0.00 1.40 1.53 0.79 0.59 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 30 T 7.29 4.28 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 *31 H 7.63 4.88 0.00 2.80 3.05 0.00 7.15 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 32 G 7.82 3.37 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 0.00 33 I 7.85 3.91 1.81 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.91 0.88 0.00 0.00 34 E 7.76 4.27 0.00 2.06 1.92 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 2.31 2.20 0.00 35 K 8.34 4.11 0.00 1.84 1.71 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.31 7.81 36 T 7.60 4.40 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 1.14 0.00 0.00 37 R 8.19 4.33 0.00 1.06 1.15 0.00 2.59 0.00 0.00 2.88 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.50 0.00 38 G 7.73 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 39 E 8.75 3.99 0.00 2.06 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 2.38 2.38 0.00 40 A 8.03 4.02 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 41 F 8.27 3.77 0.00 3.23 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 42 A 8.29 4.14 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.17 3.43 0.00 1.92 1.46 0.00 1.71 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.13 1.35 7.81 44 A 7.98 4.05 1.26 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 45 S 7.86 4.09 0.00 4.13 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 46 I 7.61 3.93 1.73 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 1.78 0.98 1.04 0.00 0.00 47 Y 8.11 4.55 0.00 3.07 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 48 G 8.30 3.75 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 0.00 0.00 0.00 49 F 8.33 3.98 0.00 2.61 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 50 L 8.21 3.79 0.00 1.94 1.69 1.10 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.84 4.19 0.00 1.95 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 2.26 2.28 0.00 52 G 8.04 3.47 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 0.00 0.00 0.00 53 I 7.14 3.54 1.76 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.09 0.75 0.00 0.00 54 L 8.26 4.04 0.00 1.55 1.68 0.85 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.75 3.83 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 1.19 0.00 0.00 56 T 7.50 4.00 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 1.24 0.00 0.00 57 L 8.44 4.17 0.00 1.91 1.65 0.76 0.55 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 58 K 7.65 4.29 0.00 1.91 2.04 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.49 7.81 *60 K 7.67 4.19 0.00 1.84 1.74 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 61 Y 7.74 4.79 0.00 2.80 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 62 S 8.61 4.69 0.00 3.61 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 63 N 8.39 4.25 0.00 2.76 2.81 0.00 0.00 7.18 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 64 E 9.11 4.09 0.00 1.97 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 2.31 1.95 0.00 65 K 8.05 4.14 0.00 1.75 1.86 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.45 1.11 7.81 66 I 7.54 4.02 1.99 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 1.30 0.32 0.88 0.00 0.00 67 E 8.13 3.95 0.00 1.97 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 2.32 1.94 0.00 68 T 7.62 3.98 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 1.36 0.00 0.00 69 L 8.62 4.18 0.00 1.99 1.70 0.94 0.30 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 70 L 8.36 3.93 0.00 1.88 1.81 0.87 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.32 4.34 0.00 2.76 2.82 0.00 0.00 7.14 8.26 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 72 E 8.27 4.06 0.00 2.12 1.94 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 2.27 2.54 0.00 73 V 7.59 3.47 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 0.97 0.00 0.00 0.84 0.00 0.00 74 K 8.07 4.01 0.00 1.81 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.35 7.81 75 T 7.92 3.99 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 1.20 0.00 0.00 76 A 7.96 3.91 0.68 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 0.00 0.00 77 R 7.72 3.98 0.00 2.07 2.03 0.00 3.23 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.86 0.00 78 E 7.93 3.95 0.00 2.09 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 2.35 2.56 0.00 79 E 8.36 4.07 0.00 2.08 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 2.31 2.42 0.00 80 T 7.81 3.94 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 81 E 8.55 4.12 0.00 2.08 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 2.62 2.33 0.00 82 A 7.29 4.13 1.34 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 83 L 8.13 4.68 0.00 1.65 1.61 0.93 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 84 L 8.67 3.97 0.00 1.64 1.73 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 85 R 7.98 4.22 0.00 1.98 1.76 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.17 0.00 * Residues marked with a * may have inaccurate shift predictions.