NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4891 8.1685 120.0896 56.4714 34.1767 174.3446 3 A 4.9155 8.8657 125.6501 50.1239 23.5780 172.7878 4 S 5.1364 10.1582 114.2948 56.9379 66.7185 171.2551 5 I 5.2890 8.8907 125.6905 59.4848 41.4889 174.2866 6 A 5.0703 9.1239 126.3159 50.2384 21.9582 174.6484 7 L 5.0657 9.2412 125.2170 53.5084 45.2748 175.2818 8 Q 4.6437 8.9437 126.3297 54.7633 32.2850 173.3555 9 V 4.6059 8.5615 127.1051 61.5171 33.2076 175.1484 10 L 4.7358 9.5034 129.7856 52.5570 42.6066 175.5346 11 P 4.3524 0.0000 0.0000 62.9442 32.2184 176.6891 12 L 3.6640 7.7362 118.4899 56.7006 39.0961 173.9466 13 V 4.4246 7.0362 115.8318 59.9218 34.9488 175.1161 14 Q 3.8583 9.0640 120.3857 56.8701 29.0147 178.6998 15 G 3.5199 9.2867 115.8382 48.2112 0.0000 176.1229 16 I 3.0299 6.9706 116.8914 61.5760 41.4808 176.2653 17 D 4.4144 7.9810 119.5418 57.7012 40.6517 179.4184 18 R 3.9841 9.0771 117.9040 58.9704 29.4276 178.2410 19 I 4.0633 8.0644 111.7842 61.6193 37.9300 177.6754 20 A 4.0528 7.6245 123.4997 55.2101 18.9545 179.8277 21 V 3.6572 7.8873 117.5230 64.6734 31.3784 178.7992 22 I 3.7614 7.5315 120.8134 64.4439 37.0610 177.8822 23 D 4.3945 8.0852 119.7028 57.4335 40.5137 178.8010 24 Q 3.9724 8.4579 118.8734 59.2390 28.8423 179.1223 25 V 3.6730 7.7568 118.5870 66.1031 31.3713 178.2800 26 I 3.7060 7.9419 119.3291 64.2197 36.7882 178.0290 27 A 3.9654 8.1816 120.5626 55.3733 18.5184 178.5624 28 Y 4.2090 8.2017 117.9839 61.0271 38.9695 178.2939 29 L 3.6103 7.9609 119.5935 58.0643 41.5292 179.7079 30 Q 3.9897 8.0456 116.7172 59.1425 28.6200 178.7202 31 T 3.9276 7.3965 116.2269 65.5810 68.6425 175.1132 32 Q 4.0869 6.7228 118.2003 55.8491 29.8617 176.1879 33 E 4.4683 8.2929 120.2531 55.9241 28.7064 176.5047 34 V 4.5740 6.9560 117.1714 59.8127 34.9954 177.5339 35 T 3.9945 7.9097 119.0049 63.6996 70.1388 173.4818 *37 V 4.0424 8.1199 122.1684 62.9366 33.1037 174.3881 38 V 4.3032 8.4898 127.9924 61.9320 31.5172 175.0666 39 T 4.6155 8.2768 117.4561 58.8481 71.1117 173.4793 40 P 4.3629 0.0000 0.0000 64.9816 31.2446 177.4899 41 F 4.8097 7.6712 114.5622 57.2767 41.3138 174.7715 42 E 4.9932 7.9577 115.9947 55.4518 33.4691 174.1356 43 T 4.9296 9.1440 118.4039 62.1784 70.5374 173.8109 44 V 4.6000 8.8355 127.8281 61.7182 32.6053 175.0584 45 L 5.1222 9.0544 128.0194 53.0207 44.6900 175.0974 46 E 4.8028 9.7798 122.0699 53.5891 33.3743 175.8307 47 G 4.0374 7.9902 112.1849 45.3809 0.0000 170.9441 48 E 4.4242 8.2633 119.3974 55.8925 31.0109 177.0534 49 F 4.3117 8.9677 125.8440 61.8646 39.4845 176.7460 50 D 4.3735 8.2251 116.4187 57.5118 40.9766 178.4517 51 E 4.1425 8.0654 117.3028 59.1904 29.6300 179.5173 52 L 4.2313 7.7451 118.6223 54.6092 41.6290 179.1303 *54 R 4.1614 7.9750 120.5824 56.5285 31.9841 177.4972 55 I 3.9158 8.2907 118.8693 64.1504 36.9530 178.0952 56 L 3.9275 8.5498 121.5687 58.1015 41.9620 178.9354 57 K 3.8601 7.9591 118.9138 59.5708 32.1616 178.4253 58 E 3.9010 8.2090 118.5476 59.2121 29.3695 178.9069 59 A 3.8782 8.5033 121.1072 55.4582 18.3405 179.7875 60 L 3.9421 8.0329 117.2428 57.9013 41.4251 179.6268 61 E 3.9008 7.8593 117.8842 59.0265 29.6103 179.3166 62 V 3.5920 8.0547 118.5931 65.9850 31.1754 177.8949 63 A 4.0974 8.0835 120.6360 55.2050 18.0052 179.7116 64 G 3.3127 8.3226 102.9798 46.3696 0.0000 174.3309 65 Q 4.6718 7.5198 122.3761 54.8032 29.1361 175.1140 66 E 4.6690 7.9048 115.9442 56.7351 35.0057 173.9093 67 A 4.6846 7.3242 119.2504 51.6354 22.3125 176.0043 68 D 4.4733 8.6420 120.0166 55.6899 41.4524 176.4675 69 N 4.8809 8.0772 115.2885 51.3210 40.3541 173.4273 70 V 4.5084 8.3835 123.1729 60.8254 34.0330 174.3148 71 F 4.9197 9.0878 129.5269 56.3408 42.2633 173.6759 72 A 5.0908 7.1343 125.3505 50.3069 22.5572 174.6592 73 N 4.9404 9.1948 118.4409 51.5414 41.1441 174.3267 74 V 5.0311 8.2912 122.0175 61.0567 35.1447 174.3559 75 K 4.7190 9.1314 126.2131 54.6204 35.0657 174.9880 76 I 5.0051 8.4751 125.0144 59.4723 39.9269 174.4299 77 N 5.0391 9.7788 125.7184 51.7097 42.2210 173.0129 78 V 4.4195 8.7367 124.9226 61.3687 34.1502 173.8185 79 G 3.8429 6.8950 111.7170 44.6442 0.0000 172.8559 80 E 4.6349 8.6594 115.1559 55.6169 32.7797 176.9261 81 I 3.6863 8.2073 118.9517 64.3156 37.7208 176.2959 82 L 4.0537 8.1912 115.4260 56.0888 42.2328 178.1908 83 S 3.6251 8.6636 113.3374 59.7979 60.3145 172.8084 84 I 3.8836 7.2455 127.3659 63.5909 37.7292 178.3143 85 D 5.0333 7.9314 118.3411 56.3160 41.4225 176.8481 86 E 4.0837 8.0890 118.5030 58.5427 29.5427 179.2279 87 K 4.2224 7.8257 115.0490 57.4261 31.9384 178.0343 88 L 4.0241 8.2542 122.9292 59.0748 40.3542 177.2353 89 E 4.2007 7.9369 118.5344 55.6791 28.0323 176.6854 90 K 4.1823 8.2863 121.8728 56.3380 32.3085 177.0621 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 K 8.17 4.49 0.00 1.73 1.83 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.47 7.81 3 A 8.87 4.92 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 4 S 10.16 5.14 0.00 3.85 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 5 I 8.89 5.29 1.90 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.88 0.94 0.00 0.00 6 A 9.12 5.07 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 7 L 9.24 5.07 0.00 1.73 1.52 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.94 4.64 0.00 2.31 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 9 V 8.56 4.61 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 0.88 0.00 0.00 0.95 0.00 0.00 10 L 9.50 4.74 0.00 1.92 1.69 1.04 1.02 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 11 P 0.00 4.35 0.00 2.06 2.12 0.00 3.85 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.10 0.00 12 L 7.74 3.66 0.00 1.81 1.76 0.99 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.04 4.42 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 0.80 0.00 0.00 0.94 0.00 0.00 14 Q 9.06 3.86 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.00 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 15 G 9.29 3.52 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 16 I 6.97 3.03 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 1.42 1.50 0.97 0.00 0.00 17 D 7.98 4.41 0.00 2.76 2.74 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 0.00 0.00 0.00 0.00 18 R 9.08 3.98 0.00 1.96 2.33 0.00 2.81 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.82 0.00 19 I 8.06 4.06 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 1.68 0.80 0.91 0.00 0.00 20 A 7.62 4.05 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 21 V 7.89 3.66 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 0.95 0.00 0.00 0.94 0.00 0.00 22 I 7.53 3.76 1.93 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 1.55 0.74 0.92 0.00 0.00 23 D 8.09 4.39 0.00 2.93 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 24 Q 8.46 3.97 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.62 2.64 0.00 25 V 7.76 3.67 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 1.10 0.00 0.00 1.03 0.00 0.00 26 I 7.94 3.71 2.08 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 1.70 0.77 0.91 0.00 0.00 27 A 8.18 3.97 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 8.20 4.21 0.00 3.11 3.18 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 29 L 7.96 3.61 0.00 2.07 1.65 1.07 0.72 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 30 Q 8.05 3.99 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 31 T 7.40 3.93 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 1.12 0.00 0.00 32 Q 6.72 4.09 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.43 0.00 0.00 0.00 0.00 0.00 1.71 2.24 0.00 33 E 8.29 4.47 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 2.23 2.24 0.00 34 V 6.96 4.57 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 0.69 0.00 0.00 0.97 0.00 0.00 35 T 7.91 3.99 4.37 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 1.21 0.00 0.00 *37 V 8.12 4.04 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 0.85 0.00 0.00 0.94 0.00 0.00 38 V 8.49 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 0.89 0.00 0.00 0.93 0.00 0.00 39 T 8.28 4.62 4.29 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 1.24 0.00 0.00 40 P 0.00 4.36 0.00 2.02 2.06 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 41 F 7.67 4.81 0.00 3.18 3.04 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 0.00 0.00 0.00 42 E 7.96 4.99 0.00 2.22 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 2.29 2.35 0.00 43 T 9.14 4.93 4.27 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 1.27 0.00 0.00 44 V 8.84 4.60 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 0.81 0.00 0.00 0.96 0.00 0.00 45 L 9.05 5.12 0.00 1.59 1.52 0.93 0.46 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 46 E 9.78 4.80 0.00 2.00 1.73 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 2.21 2.26 0.00 47 G 7.99 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.26 4.42 0.00 2.16 1.93 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 2.42 2.33 0.00 49 F 8.97 4.31 0.00 2.93 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 50 D 8.23 4.37 0.00 2.68 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 51 E 8.07 4.14 0.00 2.17 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 0.00 2.55 2.39 0.00 52 L 7.75 4.23 0.00 1.81 1.71 1.09 0.75 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 *54 R 7.98 4.16 0.00 1.92 2.12 0.00 3.19 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 55 I 8.29 3.92 2.01 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 1.45 0.82 0.98 0.00 0.00 56 L 8.55 3.93 0.00 1.78 1.68 0.91 0.69 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 57 K 7.96 3.86 0.00 1.81 1.90 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.49 7.81 58 E 8.21 3.90 0.00 2.18 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 2.23 2.42 0.00 59 A 8.50 3.88 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 60 L 8.03 3.94 0.00 1.79 1.67 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.86 3.90 0.00 1.95 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 2.28 2.50 0.00 62 V 8.05 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 0.99 0.00 0.00 0.58 0.00 0.00 63 A 8.08 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 64 G 8.32 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 0.00 0.00 0.00 65 Q 7.52 4.67 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.59 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 66 E 7.90 4.67 0.00 1.90 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 2.20 2.36 0.00 67 A 7.32 4.68 1.16 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 0.00 0.00 68 D 8.64 4.47 0.00 2.67 2.74 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 0.00 0.00 0.00 0.00 69 N 8.08 4.88 0.00 2.68 2.76 0.00 0.00 6.62 7.68 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 70 V 8.38 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 0.79 0.00 0.00 0.97 0.00 0.00 71 F 9.09 4.92 0.00 3.17 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 72 A 7.13 5.09 1.04 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 0.00 0.00 0.00 0.00 0.00 73 N 9.19 4.94 0.00 2.73 2.78 0.00 0.00 6.38 7.24 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 74 V 8.29 5.03 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 0.83 0.00 0.00 0.89 0.00 0.00 75 K 9.13 4.72 0.00 1.72 1.68 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.39 7.81 76 I 8.48 5.01 1.93 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.66 1.09 0.00 0.00 77 N 9.78 5.04 0.00 2.68 2.62 0.00 0.00 6.23 5.78 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 78 V 8.74 4.42 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 0.78 0.00 0.00 0.66 0.00 0.00 79 G 6.90 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 0.00 0.00 0.00 80 E 8.66 4.63 0.00 1.97 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 2.28 2.27 0.00 81 I 8.21 3.69 1.86 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 0.61 0.90 0.00 0.00 82 L 8.19 4.05 0.00 1.68 1.68 0.92 0.90 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 83 S 8.66 3.63 0.00 3.88 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 84 I 7.25 3.88 1.88 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 1.31 0.81 0.92 0.00 0.00 85 D 7.93 5.03 0.00 2.67 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 86 E 8.09 4.08 0.00 2.15 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 0.00 2.46 2.41 0.00 87 K 7.83 4.22 0.00 1.89 2.03 0.00 1.62 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.39 7.81 88 L 8.25 4.02 0.00 1.72 1.85 0.92 0.93 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 89 E 7.94 4.20 0.00 1.99 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 2.31 2.33 0.00 90 K 8.29 4.18 0.00 1.74 1.71 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.18 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.61 7.81 * Residues marked with a * may have inaccurate shift predictions.