NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2689 8.3645 123.5836 51.4887 19.9394 177.1386 *2 D 4.3477 8.7487 123.4314 53.5188 40.4716 172.0527 3 Q 4.7006 9.3685 125.4664 53.1852 32.5748 174.6794 4 K 4.6138 8.6432 125.0801 55.9319 33.4420 177.7356 5 L 4.0975 8.9175 124.5401 58.4459 41.7741 179.6656 6 S 4.1186 8.4208 114.5017 61.7495 62.7124 176.3948 7 D 4.3848 8.1008 122.1876 56.7176 40.3949 178.2926 8 F 4.2830 8.2847 120.4676 61.7811 39.6944 176.6541 9 H 3.9022 8.4101 115.5618 58.5070 28.3737 177.5732 10 A 4.0640 8.2071 122.7103 55.4201 18.1650 179.4662 11 E 4.1010 7.7612 114.3656 58.0064 29.5381 177.8817 12 S 4.5892 8.0689 115.0964 57.7856 63.7382 173.6610 13 G 3.3188 9.7281 108.2847 44.6018 0.0000 175.5478 14 G 4.0816 8.3992 108.5366 45.6273 0.0000 174.5027 15 C 4.1949 8.4546 115.2967 62.5861 28.1452 175.8150 16 E 5.1478 8.1001 115.3176 57.0643 29.5676 178.4862 17 S 4.1228 8.0816 114.9649 60.8356 62.2696 174.3745 18 C 4.7666 8.1239 115.9651 59.5720 30.6052 173.1091 19 H 5.2032 8.1199 116.8360 53.1125 30.9361 173.3181 20 K 3.8727 7.9629 125.0618 57.7507 32.1841 176.2354 21 D 4.4755 9.5419 124.9864 55.2261 38.3408 174.1849 22 G 3.9869 8.4763 103.7086 46.3437 0.0000 173.9209 23 T 4.5101 7.6822 116.0090 60.2691 70.8597 172.5432 24 P 4.4623 0.0000 0.0000 62.4704 32.0259 176.3930 25 S 4.3852 8.6566 115.5244 57.7140 64.0462 174.3793 26 A 4.1585 8.4471 124.0451 55.2629 18.4254 178.9361 27 D 4.3989 8.1525 114.4184 55.1902 41.4575 177.9129 28 G 4.0838 8.6149 105.8316 45.4235 0.0000 175.1973 29 A 4.1491 7.9432 122.6160 54.8690 18.4742 179.5950 30 F 3.9544 8.3443 118.7469 61.5752 39.3906 177.0664 31 E 4.3300 8.3843 118.9447 58.9619 29.3749 178.8698 32 F 4.3913 8.5520 120.5082 61.3998 39.4270 176.9833 33 A 3.6727 8.1158 120.3168 55.0194 18.2256 179.6564 34 Q 3.7671 7.8428 116.4629 59.2156 28.7992 178.5589 35 C 4.1874 8.1855 117.8459 63.2962 28.2193 176.5013 36 Q 4.3350 8.1849 120.7231 58.1234 27.9478 178.8082 37 S 4.0368 7.7563 114.8148 60.9378 62.9204 175.5641 38 C 4.3462 7.4366 117.5584 61.4867 28.9230 174.9116 39 H 4.6596 8.2930 115.0204 56.2555 29.4038 176.2809 40 G 3.7730 8.4311 109.7085 44.4779 0.0000 172.5652 41 K 4.4951 8.0614 116.6836 54.7732 33.8756 177.7707 42 L 4.1074 8.6620 121.8102 58.1338 41.6870 179.8375 43 S 4.2922 8.2417 111.1549 60.3228 63.1038 174.4046 44 E 4.4874 8.0166 119.5249 56.4103 29.5676 175.5852 45 M 4.5572 7.4796 120.5007 53.8928 34.5885 174.9811 46 D 4.7423 8.2320 119.2802 53.2415 42.5723 176.2190 47 A 4.0312 8.4604 119.9916 55.1832 18.3138 179.5891 48 V 3.7059 7.8051 116.5545 66.1167 31.8462 177.5495 49 H 4.4856 8.2145 115.3570 58.3131 29.0052 177.2697 50 K 4.0367 8.2147 120.7317 59.0934 31.8157 177.3928 51 P 4.3504 0.0000 0.0000 65.1586 31.5252 176.5016 52 H 4.5160 8.2327 115.7681 56.0937 29.1691 174.6077 53 D 4.5274 7.8003 120.7294 55.7654 41.1759 176.5714 54 G 4.0774 9.2347 114.7038 45.5677 0.0000 172.8787 55 N 4.7820 8.3786 114.8939 54.1296 40.6341 174.7271 56 L 4.7753 7.6477 114.6821 52.9084 44.8555 176.0030 57 V 3.1535 7.9815 113.6245 59.2294 33.7538 177.2751 58 C 4.1101 8.6554 118.5644 63.2070 27.8216 176.3406 59 A 4.8704 7.8341 120.3975 53.8690 18.1684 178.7969 60 D 4.4400 7.9536 115.2927 56.4314 41.2141 176.6264 61 C 4.4135 7.3948 111.2342 61.4230 30.0924 174.3656 62 H 4.4281 8.3080 121.9344 55.0770 27.6535 174.5283 63 A 4.6724 8.1815 129.5587 50.6853 17.4629 177.7707 64 V 3.7068 7.9746 115.3489 64.1933 32.1406 177.8210 65 H 4.7197 8.1069 114.0506 55.8858 28.8571 175.3327 66 D 4.6167 7.9423 118.3482 54.8718 41.4791 176.0544 67 M 4.3877 7.9855 120.2245 53.2654 34.1054 174.7162 68 N 5.0104 8.2608 117.6323 53.3786 39.5104 173.7711 69 V 3.7897 7.9425 118.9649 63.8754 31.9252 174.5005 70 G 4.1006 8.8399 110.6746 45.7270 0.0000 174.1259 71 Q 4.1903 7.7337 120.7807 55.0886 29.5414 175.0452 72 K 4.7245 8.2075 123.7574 53.5404 35.2926 174.1595 73 P 4.3372 0.0000 0.0000 62.9247 31.7305 176.1966 74 T 4.5781 8.0903 110.9888 60.4668 71.4541 173.5333 75 C 4.7777 8.2284 115.9748 59.5359 28.6822 175.9134 76 E 4.4275 8.3201 117.3730 57.7516 29.6383 179.0710 77 S 4.3971 8.0813 113.8265 60.5758 63.2390 174.5796 78 C 4.7306 7.5191 115.8490 59.0937 30.1309 173.6386 79 H 4.9941 8.1324 116.5788 53.9829 31.0223 173.7589 80 D 4.9433 8.7437 121.1447 53.2841 39.7295 176.2240 81 D 4.5709 8.1609 118.0735 53.2085 39.8065 177.0292 82 G 3.8987 8.2487 107.3032 45.9627 0.0000 174.2153 83 R 4.0936 8.1189 115.8574 56.1285 30.1150 176.1746 84 T 4.7589 8.1870 109.1430 59.1270 73.3166 175.1538 85 S 4.1196 8.5362 115.7146 61.5595 62.8681 176.3725 86 A 4.0125 7.9511 124.1330 54.9533 18.3458 179.6076 87 S 4.1297 8.1050 112.4694 61.0189 62.8535 176.6921 88 V 3.8476 7.3653 120.5109 65.3259 31.6680 177.6149 89 L 4.2010 8.2143 118.0654 56.6718 41.5899 178.2004 90 K 4.5930 7.6807 117.3796 55.3940 32.8437 176.1387 91 K 4.4099 8.1677 124.6380 56.2823 32.0000 176.0173 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 8.36 4.27 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 *2 D 8.75 4.35 0.00 2.56 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 9.37 4.70 0.00 2.16 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.01 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 4 K 8.64 4.61 0.00 1.91 1.90 0.00 1.93 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.52 7.81 5 L 8.92 4.10 0.00 1.93 1.96 1.06 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.42 4.12 0.00 3.85 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 7 D 8.10 4.38 0.00 2.91 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 8 F 8.28 4.28 0.00 2.93 3.33 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 9 H 8.41 3.90 0.00 3.40 3.26 0.00 5.87 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 10 A 8.21 4.06 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 11 E 7.76 4.10 0.00 1.98 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 2.51 2.52 0.00 12 S 8.07 4.59 0.00 3.55 3.67 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 0.00 0.00 0.00 0.00 13 G 9.73 3.32 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 0.00 14 G 8.40 4.08 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 0.00 0.00 0.00 15 C 8.45 4.19 0.00 3.04 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 16 E 8.10 5.15 0.00 2.16 2.22 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 2.44 2.22 0.00 17 S 8.08 4.12 0.00 3.94 3.93 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 0.00 0.00 0.00 18 C 8.12 4.77 0.00 2.84 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 H 8.12 5.20 0.00 3.31 3.29 0.00 5.62 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.96 3.87 0.00 0.79 1.11 0.00 1.74 0.00 0.00 1.44 0.00 0.00 2.79 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.30 1.25 7.81 21 D 9.54 4.48 0.00 2.79 2.69 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 22 G 8.48 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 0.00 0.00 0.00 23 T 7.68 4.51 4.30 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 1.15 0.00 0.00 24 P 0.00 4.46 0.00 2.12 1.87 0.00 3.66 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.86 0.00 25 S 8.66 4.39 0.00 4.04 3.93 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 0.00 0.00 0.00 26 A 8.45 4.16 1.30 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 0.00 0.00 27 D 8.15 4.40 0.00 2.74 2.78 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 28 G 8.61 4.08 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 0.00 0.00 0.00 29 A 7.94 4.15 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 30 F 8.34 3.95 0.00 3.20 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 31 E 8.38 4.33 0.00 2.39 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 0.00 2.52 2.64 0.00 32 F 8.55 4.39 0.00 3.11 3.25 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 33 A 8.12 3.67 1.17 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 34 Q 7.84 3.77 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.14 2.61 0.00 35 C 8.19 4.19 0.00 3.00 3.05 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 36 Q 8.18 4.33 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.79 0.00 0.00 0.00 0.00 0.00 2.26 1.74 0.00 37 S 7.76 4.04 0.00 3.95 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 38 C 7.44 4.35 0.00 2.91 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 39 H 8.29 4.66 0.00 3.28 3.32 0.00 5.70 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.43 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 41 K 8.06 4.50 0.00 1.92 1.74 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.02 7.81 42 L 8.66 4.11 0.00 2.02 1.83 1.07 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.24 4.29 0.00 3.99 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 0.00 44 E 8.02 4.49 0.00 2.38 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 2.26 2.13 0.00 45 M 7.48 4.56 0.00 1.91 2.22 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.40 0.00 46 D 8.23 4.74 0.00 2.98 2.86 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 47 A 8.46 4.03 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 48 V 7.81 3.71 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 0.77 0.00 0.00 0.94 0.00 0.00 49 H 8.21 4.49 0.00 3.47 3.41 0.00 5.90 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.21 4.04 0.00 1.81 1.90 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.50 1.84 7.81 51 P 0.00 4.35 0.00 1.97 2.11 0.00 3.83 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 1.87 1.94 0.00 52 H 8.23 4.52 0.00 3.45 3.38 0.00 5.82 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.80 4.53 0.00 2.74 2.67 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 0.00 0.00 0.00 0.00 54 G 9.23 4.08 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 0.00 0.00 0.00 55 N 8.38 4.78 0.00 2.85 2.83 0.00 0.00 6.77 7.37 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 56 L 7.65 4.78 0.00 1.56 1.53 0.82 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.98 3.15 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 -0.01 0.00 0.00 0.76 0.00 0.00 58 C 8.66 4.11 0.00 3.11 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 59 A 7.83 4.87 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 60 D 7.95 4.44 0.00 2.75 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 61 C 7.39 4.41 0.00 2.86 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 62 H 8.31 4.43 0.00 3.21 3.27 0.00 5.60 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 63 A 8.18 4.67 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 64 V 7.97 3.71 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 0.93 0.00 0.00 65 H 8.11 4.72 0.00 3.17 3.36 0.00 5.74 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.94 4.62 0.00 2.95 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 67 M 7.99 4.39 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.65 0.00 68 N 8.26 5.01 0.00 2.72 2.73 0.00 0.00 6.50 7.71 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 69 V 7.94 3.79 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 0.40 0.00 0.00 0.76 0.00 0.00 70 G 8.84 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 0.00 0.00 0.00 71 Q 7.73 4.19 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.65 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 72 K 8.21 4.72 0.00 1.75 1.68 0.00 1.89 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.37 7.81 73 P 0.00 4.34 0.00 1.93 2.01 0.00 3.58 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 1.66 2.02 0.00 74 T 8.09 4.58 4.28 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 1.20 0.00 0.00 75 C 8.23 4.78 0.00 3.12 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 76 E 8.32 4.43 0.00 2.11 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 2.35 2.20 0.00 77 S 8.08 4.40 0.00 3.98 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 78 C 7.52 4.73 0.00 2.91 2.78 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 79 H 8.13 4.99 0.00 3.30 3.12 0.00 5.58 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.74 4.94 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 81 D 8.16 4.57 0.00 2.80 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.25 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 83 R 8.12 4.09 0.00 1.91 2.24 0.00 2.80 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 84 T 8.19 4.76 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 1.27 0.00 0.00 85 S 8.54 4.12 0.00 4.07 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 0.00 86 A 7.95 4.01 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 87 S 8.11 4.13 0.00 4.09 4.13 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 0.00 0.00 0.00 88 V 7.37 3.85 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 0.86 0.00 0.00 0.91 0.00 0.00 89 L 8.21 4.20 0.00 1.69 1.73 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 90 K 7.68 4.59 0.00 1.89 1.79 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.48 7.81 91 K 8.17 4.41 0.00 1.85 1.70 0.00 1.62 0.00 0.00 2.39 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.