NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.5766 8.3231 116.7913 57.4422 65.9485 172.5846 9 G 3.8806 7.0191 116.0697 43.4384 0.0000 172.4384 10 K 4.6212 10.4553 132.7653 56.6849 30.6081 176.1510 11 R 4.0147 8.1657 122.0123 55.6163 27.1894 175.7454 12 P 4.3133 0.0000 0.0000 65.4800 31.7699 176.2038 13 I 3.9692 8.0587 117.3684 58.7648 38.9870 174.3645 14 V 4.5867 7.1461 119.9874 59.6451 31.9239 170.8246 15 A 4.3352 7.8452 125.6526 51.5999 20.1264 176.0336 16 N 5.0572 8.2814 114.5027 51.4713 39.7785 174.2578 17 S 4.7164 7.9509 114.9925 56.7953 66.3262 172.9890 18 I 4.5851 8.1891 120.2549 60.0160 38.2347 175.5643 19 Q 4.7562 8.6118 126.0711 54.1657 31.6339 175.7348 20 R 4.9605 8.3470 120.0280 55.4361 31.2764 176.6718 21 R 3.8499 8.8216 121.3083 58.9160 30.4222 175.3819 22 G 3.6265 8.1093 113.6638 45.6287 0.0000 171.5349 23 K 4.3857 9.1791 123.7299 55.2472 32.6571 174.2189 24 A 4.9103 8.3130 126.4646 50.4936 20.1738 176.0802 25 K 4.7099 10.0398 124.3100 54.1042 35.4008 175.2342 26 R 5.3456 8.4090 120.5398 54.2659 29.8850 173.7603 27 E 3.9483 8.3547 120.3764 56.5300 29.3031 177.5323 28 G 4.6226 6.9140 121.2989 45.6303 0.0000 174.9862 29 G 4.0242 9.0325 108.6755 45.5630 0.0000 174.5295 30 V 4.3017 7.5675 118.6544 59.0174 32.9191 173.5414 31 G 4.0741 8.2483 115.4558 43.9677 0.0000 173.5852 32 K 4.6298 9.0119 127.0792 53.9895 36.5870 174.8271 33 K 4.2274 8.2218 117.9526 58.2872 33.3734 175.1989 34 T 4.8763 8.1210 112.8488 61.4472 70.5020 173.6261 35 T 4.6420 8.7093 117.7255 59.6926 72.3568 173.1428 36 G 3.8959 8.8391 113.1666 46.4186 0.0000 172.9397 37 I 4.3141 8.7175 127.0379 62.2403 39.2164 175.4120 38 S 4.6540 7.5113 113.4249 57.4202 65.5941 174.0101 39 K 4.9269 8.7488 124.0302 54.8995 34.8474 175.3818 40 R 4.8444 8.3354 124.8174 54.7599 34.0859 173.0861 41 R 4.7575 8.5855 117.1928 54.8841 32.8942 175.1254 42 Q 4.5760 9.5332 126.6152 54.9435 31.7115 174.0667 43 Y 4.6969 8.4302 123.8127 55.2146 41.1771 172.7286 44 P 4.6291 0.0000 0.0000 61.8085 32.7083 175.0132 45 N 4.5748 8.6117 122.5323 51.9463 39.6691 175.4970 46 L 3.9567 8.3757 122.5780 55.0173 42.2396 178.4924 47 Q 4.3874 8.3509 124.5573 56.0612 27.9062 177.4535 48 K 4.5388 7.5528 131.5872 53.9189 31.7368 179.2703 49 V 3.8971 8.9324 115.9618 62.9020 31.6565 168.9782 50 R 4.6237 8.2103 126.0560 55.4092 31.6407 175.5188 51 V 4.3885 8.7636 125.1176 61.2860 34.3302 174.1992 52 R 5.1225 8.7193 127.5695 55.1944 31.5971 176.1454 53 V 4.5828 9.2606 122.2403 60.3776 35.7843 174.4577 54 A 5.4087 7.7918 121.6498 48.8672 18.6145 175.8024 55 G 3.7764 8.3603 110.6056 47.5122 0.0000 171.4503 56 Q 4.4036 7.4832 118.1937 56.0552 32.3549 174.0238 57 E 4.9334 8.0885 116.7369 54.8046 31.1553 174.4999 58 I 4.4900 8.8898 121.2817 59.6013 40.7687 175.8403 59 T 4.9866 8.4166 123.3722 62.0439 70.0335 174.1784 60 F 4.4461 9.5361 126.0462 56.5155 41.4547 175.2489 61 R 4.8811 8.6995 122.2530 54.4614 30.0435 174.8634 62 V 4.5025 8.1003 123.1831 58.7903 34.3863 176.6394 63 A 4.4344 8.4700 124.0228 51.7826 16.2795 175.7090 64 A 4.0957 7.8627 123.3576 53.5816 17.4109 177.7519 65 S 5.5124 7.6845 126.6254 60.1031 61.7786 176.3703 66 H 4.8544 7.7026 117.6806 54.6497 30.9440 174.9341 67 I 3.6226 8.0949 122.3967 64.0448 36.8838 175.4277 68 P 4.4022 0.0000 0.0000 66.4143 29.9837 177.7243 69 K 3.7337 7.8469 119.4778 58.9989 31.8771 178.2700 70 V 2.8936 7.6075 118.2128 66.1280 31.2943 177.4275 71 Y 4.0527 7.5636 115.9561 61.3030 37.5981 178.3662 72 E 3.9629 7.4881 118.8803 59.3818 29.5599 178.8504 73 L 4.0870 7.6111 118.2130 57.7672 41.9603 178.8494 74 V 3.7674 7.7508 117.6722 66.0000 31.6841 176.5609 75 E 4.7507 8.1553 117.4099 55.6305 28.8423 178.2347 76 R 4.4031 8.0589 117.7437 54.6904 32.6588 176.3821 77 A 4.4401 8.3035 128.3485 51.0117 17.3755 176.1516 78 K 4.1138 8.2498 117.4212 56.0722 32.4643 179.0682 79 G 3.6478 7.8807 101.7794 47.0067 0.0000 173.9630 80 L 4.3822 7.8483 128.7336 53.0255 44.8602 177.1396 81 K 4.1781 8.4821 125.1494 55.8119 31.8261 176.2672 82 L 4.0231 8.2764 122.2478 56.4824 42.3008 176.4682 83 E 4.8917 8.7609 126.1257 55.2486 32.3717 176.9259 84 G 4.4498 8.6883 111.0347 45.7996 0.0000 173.9951 85 L 3.8099 8.1748 118.5390 54.8038 39.6798 177.8705 86 S 4.1390 9.6717 121.8213 58.7455 62.5173 171.9026 87 P 4.3163 0.0000 0.0000 65.1649 31.0166 178.0243 88 K 3.8778 8.1014 117.8544 60.1130 31.9570 178.0909 89 E 4.0984 8.2444 117.9780 59.0124 29.4366 178.8903 90 I 3.8204 7.6897 119.5640 64.8709 37.2021 177.9755 91 K 4.5441 10.2131 114.6298 57.1928 31.7116 177.0210 92 K 4.5606 8.9015 120.0684 58.2569 36.6848 177.2328 93 E 4.3531 8.1016 113.0075 56.8454 30.6754 177.4303 94 L 4.1674 8.1128 123.2188 55.3772 40.7738 178.7262 95 L 4.1601 8.7793 117.8642 55.0026 45.9957 175.0642 *96 K 4.1215 8.5977 120.1825 55.2063 32.3453 172.2504 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 8 S 8.32 4.58 0.00 3.88 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 9 G 7.02 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 10.46 4.62 0.00 2.20 2.15 0.00 1.56 0.00 0.00 1.85 0.00 0.00 3.06 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.18 7.81 11 R 8.17 4.01 0.00 2.14 2.09 0.00 3.44 0.00 0.00 3.24 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.77 0.00 12 P 0.00 4.31 0.00 2.06 2.13 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.04 0.00 13 I 8.06 3.97 1.48 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.74 0.80 0.00 0.00 14 V 7.15 4.59 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 0.66 0.00 0.00 0.92 0.00 0.00 15 A 7.85 4.34 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 16 N 8.28 5.06 0.00 2.67 2.73 0.00 0.00 5.76 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 17 S 7.95 4.72 0.00 3.78 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 18 I 8.19 4.59 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.69 0.96 0.00 0.00 19 Q 8.61 4.76 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.85 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 20 R 8.35 4.96 0.00 1.70 1.86 0.00 3.59 0.00 0.00 4.01 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.41 0.00 21 R 8.82 3.85 0.00 1.83 1.94 0.00 3.51 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 22 G 8.11 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 23 K 9.18 4.39 0.00 1.64 1.78 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.53 7.81 24 A 8.31 4.91 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 25 K 10.04 4.71 0.00 1.85 1.64 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.35 7.81 26 R 8.41 5.35 0.00 2.22 2.12 0.00 3.14 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.43 0.00 27 E 8.35 3.95 0.00 2.28 1.83 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 2.31 2.37 0.00 28 G 6.91 4.62 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 0.00 0.00 0.00 29 G 9.03 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.57 4.30 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 0.82 0.00 0.00 0.93 0.00 0.00 31 G 8.25 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 32 K 9.01 4.63 0.00 2.00 1.67 0.00 1.68 0.00 0.00 1.87 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.40 7.81 33 K 8.22 4.23 0.00 1.83 2.00 0.00 1.51 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.45 7.81 34 T 8.12 4.88 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 1.19 0.00 0.00 35 T 8.71 4.64 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 36 G 8.84 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 0.00 0.00 0.00 37 I 8.72 4.31 1.97 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 1.11 1.18 0.92 0.00 0.00 38 S 7.51 4.65 0.00 3.89 3.62 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 39 K 8.75 4.93 0.00 1.64 1.67 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.69 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.39 7.81 40 R 8.34 4.84 0.00 1.81 1.78 0.00 3.29 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 41 R 8.59 4.76 0.00 1.69 1.84 0.00 3.44 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 42 Q 9.53 4.58 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 43 Y 8.43 4.70 0.00 2.85 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 44 P 0.00 4.63 0.00 2.10 2.60 0.00 4.00 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 45 N 8.61 4.57 0.00 2.62 2.75 0.00 0.00 7.19 7.85 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 46 L 8.38 3.96 0.00 1.57 1.57 0.92 0.94 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 47 Q 8.35 4.39 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.04 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 48 K 7.55 4.54 0.00 1.87 0.77 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.51 1.50 7.81 49 V 8.93 3.90 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 0.87 0.00 0.00 0.94 0.00 0.00 50 R 8.21 4.62 0.00 1.88 1.82 0.00 3.24 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 51 V 8.76 4.39 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 0.72 0.00 0.00 0.91 0.00 0.00 52 R 8.72 5.12 0.00 1.77 1.87 0.00 3.24 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 53 V 9.26 4.58 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 0.95 0.00 0.00 0.94 0.00 0.00 54 A 7.79 5.41 1.27 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 0.00 0.00 0.00 55 G 8.36 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 56 Q 7.48 4.40 0.00 2.08 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.97 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 57 E 8.09 4.93 0.00 1.92 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 2.20 2.25 0.00 58 I 8.89 4.49 1.92 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 1.19 0.95 0.65 0.00 0.00 59 T 8.42 4.99 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 1.22 0.00 0.00 60 F 9.54 4.45 0.00 2.89 2.97 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 61 R 8.70 4.88 0.00 1.79 1.85 0.00 3.18 0.00 0.00 3.28 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 62 V 8.10 4.50 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 0.79 0.00 0.00 0.92 0.00 0.00 63 A 8.47 4.43 1.21 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 64 A 7.86 4.10 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 65 S 7.68 5.51 0.00 4.12 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 0.00 66 H 7.70 4.85 0.00 3.10 3.25 0.00 5.68 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 67 I 8.09 3.62 1.96 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 1.73 0.47 0.96 0.00 0.00 68 P 0.00 4.40 0.00 2.27 2.37 0.00 3.64 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 69 K 7.85 3.73 0.00 1.89 1.88 0.00 1.50 0.00 0.00 1.52 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.43 1.48 7.81 70 V 7.61 2.89 1.63 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 0.08 0.00 0.00 0.46 0.00 0.00 71 Y 7.56 4.05 0.00 3.28 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 72 E 7.49 3.96 0.00 2.16 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 2.32 2.38 0.00 73 L 7.61 4.09 0.00 1.78 1.69 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.75 3.77 2.36 0.00 0.00 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 0.93 0.00 0.00 75 E 8.16 4.75 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 2.37 2.39 0.00 76 R 8.06 4.40 0.00 1.79 1.84 0.00 3.32 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.69 0.00 77 A 8.30 4.44 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 78 K 8.25 4.11 0.00 1.77 1.84 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.44 7.81 79 G 7.88 3.65 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 0.00 0.00 0.00 80 L 7.85 4.38 0.00 1.60 1.57 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.48 4.18 0.00 1.74 1.81 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.45 7.81 82 L 8.28 4.02 0.00 1.58 1.61 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.76 4.89 0.00 1.89 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 2.07 2.17 0.00 84 G 8.69 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 0.00 0.00 0.00 0.00 85 L 8.17 3.81 0.00 1.61 1.28 0.88 0.82 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 86 S 9.67 4.14 0.00 4.17 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 87 P 0.00 4.32 0.00 2.00 2.03 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.88 0.00 88 K 8.10 3.88 0.00 1.73 1.95 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.49 7.81 89 E 8.24 4.10 0.00 2.00 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 2.58 2.35 0.00 90 I 7.69 3.82 2.17 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 1.72 1.60 1.20 0.00 0.00 91 K 10.21 4.54 0.00 1.87 1.90 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.71 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.68 1.72 7.81 92 K 8.90 4.56 0.00 1.82 1.71 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.46 7.81 93 E 8.10 4.35 0.00 2.08 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 2.25 0.00 94 L 8.11 4.17 0.00 1.91 1.31 0.99 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.78 4.16 0.00 1.61 1.54 0.92 0.79 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 *96 K 8.60 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.