NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2178 8.2649 123.5833 52.4580 19.4941 177.6371 3 C 4.3683 8.3932 115.5506 58.2805 29.4488 171.5247 4 P 4.2783 0.0000 0.0000 65.4452 31.4066 178.2052 5 L 3.9412 7.8060 118.5608 58.1794 42.1478 178.6733 6 E 3.9502 8.1347 118.0236 59.3109 29.4823 178.7316 7 K 3.7993 8.1306 119.4383 59.8257 32.1220 178.4209 8 A 4.0121 8.0982 120.5908 55.1711 18.3373 179.5601 9 L 3.9957 8.0069 117.5489 57.9818 41.6210 179.1668 10 D 4.3770 8.3057 117.9991 57.3882 41.1415 178.6454 11 V 3.6206 7.8955 118.6470 66.1493 31.3422 177.4664 12 M 4.1933 8.1829 117.9970 58.9324 32.2111 178.4510 13 V 4.0916 8.0729 118.1458 66.3042 31.8268 178.1001 14 S 4.3501 8.4792 115.1274 62.0577 62.5440 176.9019 15 T 4.0233 8.3239 118.4483 66.4037 68.1521 176.3356 16 F 3.9354 7.8739 122.6393 61.8017 39.0145 176.9091 17 H 4.5941 8.0493 114.8946 57.2240 28.3253 177.5735 18 K 3.7947 7.8539 121.4045 59.0266 32.0641 177.3803 19 Y 4.3855 7.2312 114.8725 59.3358 38.5218 178.1388 20 S 4.1658 8.2027 114.9444 60.5897 63.2797 175.7896 21 G 3.7523 7.3322 106.9403 45.9898 0.0000 174.8744 22 K 4.1084 7.6716 120.1918 58.7406 32.2835 177.3054 23 E 4.6423 8.3036 114.4902 55.5261 33.4292 176.6607 24 G 3.6096 8.4221 108.6789 46.3785 0.0000 174.6121 25 D 4.3150 8.6301 124.6465 54.1633 41.4430 176.4361 26 K 4.0777 8.0751 124.7878 57.3719 32.3883 177.5824 27 F 5.2759 8.6753 116.2998 56.9290 39.3705 175.3354 28 K 4.9231 7.5755 118.8812 54.7052 35.9661 175.8751 29 L 4.4358 8.8355 123.5168 53.4044 41.7343 176.8719 30 N 5.0745 9.0882 123.8941 51.8034 39.7640 175.7380 31 K 3.8620 8.4269 119.0948 60.2552 32.4524 178.8952 32 S 3.9177 7.9415 113.8145 61.1464 62.5952 175.8324 33 E 3.9557 8.8528 121.7074 59.2048 29.0719 179.1552 34 L 3.8544 8.0272 120.6064 57.7715 42.1486 178.8834 35 K 3.5001 7.8488 119.4945 59.4150 31.9885 178.2349 36 E 3.7934 7.8783 118.7859 59.5164 29.4373 179.3889 37 L 3.0505 7.0749 119.3682 57.8860 41.9931 178.9924 38 L 4.1507 8.2007 119.3279 57.9842 41.3051 179.7124 39 T 4.0671 7.7857 114.8481 66.5758 68.7275 176.4758 40 R 4.2417 8.1424 118.4771 57.7877 30.5819 177.2260 41 E 4.6135 8.2961 115.8212 56.4940 32.2317 176.3212 42 L 4.9827 7.6077 117.8352 53.0075 42.0603 176.1170 43 P 4.4511 0.0000 0.0000 65.8178 31.5855 178.4142 44 S 4.1854 8.0735 114.3030 61.3909 62.8481 175.7152 45 F 4.3067 8.0341 122.3720 61.0251 39.2270 176.9773 46 L 4.0462 8.1394 117.6330 55.4133 42.1723 178.8322 47 G 3.6900 8.3415 106.7104 46.5274 0.0000 177.1178 48 K 4.3387 8.1419 119.4516 54.7370 33.4448 175.3546 *52 E 4.4891 8.4435 121.6329 56.2871 31.8062 178.3278 53 A 3.9386 8.0277 119.2676 55.2275 18.6757 179.1113 54 A 3.8236 7.9214 118.5703 55.4635 18.3989 179.7002 55 F 4.2000 7.8292 115.5333 60.8260 39.1014 177.5535 56 Q 4.1955 8.2279 121.3750 59.6496 28.7340 179.1579 57 K 4.0328 7.9464 124.6717 59.6128 31.7800 181.6145 58 L 4.1670 7.8014 120.1206 57.8120 41.5941 179.1662 59 M 3.9981 8.5502 118.7193 58.8734 31.9556 178.4623 60 S 4.1926 7.8735 112.8471 61.2118 63.3481 175.5901 61 N 4.4525 7.8380 119.8692 56.3888 38.7146 176.5413 62 L 4.2564 7.8266 119.9150 56.6075 43.0798 177.8631 63 D 4.7840 8.0465 120.1186 53.3794 38.7741 176.4674 64 S 4.2078 8.2106 118.4257 60.3351 63.9207 175.8454 65 N 4.5106 8.5641 115.9794 52.4016 37.8297 175.0376 66 R 3.9173 7.4753 117.2869 58.0052 27.6958 175.6276 67 D 4.8079 8.0775 111.3705 52.7903 40.3936 177.2832 68 N 4.4611 8.8513 114.8857 54.0128 36.6585 173.6931 69 E 4.8092 7.9850 116.4007 54.5231 33.6477 175.3227 70 V 4.3849 8.5505 121.6104 61.5667 32.2720 175.6933 71 D 5.2668 8.9810 128.9466 52.3301 42.5017 176.8266 72 F 3.0677 8.5130 119.8557 61.0714 39.2616 176.6014 73 Q 3.8442 8.1911 118.7654 59.4765 28.8361 178.2609 74 E 4.0083 8.7736 119.5974 59.4674 29.4586 178.7774 75 Y 4.1980 8.1364 119.6848 60.7893 38.8048 177.6709 76 C 3.6478 7.8711 117.9247 62.6392 28.3095 176.1665 77 V 3.4857 7.5759 119.6846 66.0191 31.0132 177.7812 78 F 4.2431 8.1253 120.2019 61.4554 39.2408 177.1476 79 L 3.5292 7.5745 118.2847 57.3386 41.2785 179.6557 80 S 4.0126 7.9166 115.7021 61.4638 62.6213 176.1322 81 C 4.0611 7.7805 120.9794 62.4620 31.3364 175.6530 82 I 3.5412 7.1388 120.8101 64.3330 36.6542 178.2846 83 A 3.9881 7.9475 121.5275 55.4212 18.2202 179.5675 84 M 4.1128 8.0409 116.9821 58.2886 31.7554 178.9126 85 M 4.1475 7.6490 118.3030 58.4694 32.4154 178.0867 86 C 4.3009 8.0708 116.8689 62.8434 28.3806 175.7260 87 N 4.5592 8.4165 118.7488 56.5533 38.4683 176.4041 88 E 3.7653 7.9311 120.4658 59.1645 29.5711 178.6544 89 F 3.0730 7.4678 120.6971 60.9728 39.1881 177.1597 90 F 3.8935 7.7041 115.7969 59.9276 38.7330 177.2017 91 E 4.1968 7.8118 117.5714 58.7241 29.5428 177.2237 92 G 3.9373 7.5605 105.6688 44.8444 0.0000 173.9991 93 F 3.7420 7.5272 116.9833 57.6236 36.3625 173.7827 94 P 4.4761 0.0000 0.0000 62.9211 31.4147 176.9327 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 A 8.26 4.22 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 3 C 8.39 4.37 0.00 3.06 2.88 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 4 P 0.00 4.28 0.00 2.16 2.12 0.00 3.60 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 5 L 7.81 3.94 0.00 1.75 1.66 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.13 3.95 0.00 2.06 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 2.41 2.37 0.00 7 K 8.13 3.80 0.00 2.09 1.96 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.56 7.81 8 A 8.10 4.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.01 4.00 0.00 1.92 1.78 0.94 0.80 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 10 D 8.31 4.38 0.00 2.89 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 11 V 7.90 3.62 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 1.03 0.00 0.00 1.05 0.00 0.00 12 M 8.18 4.19 0.00 2.45 2.19 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.76 0.00 13 V 8.07 4.09 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 0.91 0.00 0.00 1.16 0.00 0.00 14 S 8.48 4.35 0.00 4.02 3.96 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 0.00 0.00 0.00 15 T 8.32 4.02 4.54 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 16 F 7.87 3.94 0.00 2.42 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 17 H 8.05 4.59 0.00 3.36 3.39 0.00 5.69 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.85 3.79 0.00 1.75 1.69 0.00 1.66 0.00 0.00 1.53 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.52 1.16 7.81 19 Y 7.23 4.39 0.00 2.96 2.98 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 0.00 0.00 0.00 20 S 8.20 4.17 0.00 3.74 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 21 G 7.33 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 22 K 7.67 4.11 0.00 1.78 1.84 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.28 7.81 23 E 8.30 4.64 0.00 1.97 1.81 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 2.17 2.32 0.00 24 G 8.42 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.63 4.31 0.00 2.65 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.08 4.08 0.00 0.79 1.10 0.00 1.54 0.00 0.00 0.61 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.19 1.15 7.81 27 F 8.68 5.28 0.00 3.22 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.58 4.92 0.00 1.74 1.71 0.00 1.98 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.65 7.81 29 L 8.84 4.44 0.00 1.62 1.52 0.95 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 30 N 9.09 5.07 0.00 2.94 3.07 0.00 0.00 6.34 7.34 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 31 K 8.43 3.86 0.00 1.94 2.09 0.00 1.50 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.46 7.81 32 S 7.94 3.92 0.00 3.84 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.85 3.96 0.00 2.07 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 2.37 2.40 0.00 34 L 8.03 3.85 0.00 1.78 1.83 0.90 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 35 K 7.85 3.50 0.00 1.45 1.61 0.00 0.82 0.00 0.00 1.23 0.00 0.00 2.67 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.88 0.21 7.81 36 E 7.88 3.79 0.00 2.00 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 2.49 0.00 37 L 7.07 3.05 0.00 0.94 1.57 0.99 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.20 4.15 0.00 1.96 1.96 1.08 0.74 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 39 T 7.79 4.07 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 1.27 0.00 0.00 40 R 8.14 4.24 0.00 1.89 2.08 0.00 3.30 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 41 E 8.30 4.61 0.00 2.18 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 2.34 2.57 0.00 42 L 7.61 4.98 0.00 1.79 1.74 1.00 1.36 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 43 P 0.00 4.45 0.00 2.30 2.52 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 44 S 8.07 4.19 0.00 3.93 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.03 4.31 0.00 3.08 3.35 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 0.00 0.00 0.00 0.00 46 L 8.14 4.05 0.00 1.87 1.72 1.15 0.83 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 47 G 8.34 3.69 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 0.00 0.00 0.00 48 K 8.14 4.34 0.00 1.66 1.69 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.51 7.81 *52 E 8.44 4.49 0.00 2.08 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 2.36 2.30 0.00 53 A 8.03 3.94 1.31 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 54 A 7.92 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 7.83 4.20 0.00 3.21 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 56 Q 8.23 4.20 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 57 K 7.95 4.03 0.00 1.77 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.35 7.81 58 L 7.80 4.17 0.00 1.89 1.74 1.06 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 59 M 8.55 4.00 0.00 2.02 2.26 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.70 0.00 60 S 7.87 4.19 0.00 4.10 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 61 N 7.84 4.45 0.00 2.72 3.05 0.00 0.00 7.25 9.08 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 62 L 7.83 4.26 0.00 1.82 1.63 0.56 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.05 4.78 0.00 2.81 2.66 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 64 S 8.21 4.21 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.56 4.51 0.00 2.89 2.99 0.00 0.00 7.16 6.93 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 66 R 7.48 3.92 0.00 1.88 1.99 0.00 3.17 0.00 0.00 3.39 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 67 D 8.08 4.81 0.00 2.76 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 68 N 8.85 4.46 0.00 2.90 3.02 0.00 0.00 6.65 7.43 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 69 E 7.98 4.81 0.00 1.92 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 2.24 2.23 0.00 70 V 8.55 4.38 2.18 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 1.10 0.00 0.00 0.95 0.00 0.00 71 D 8.98 5.27 0.00 3.16 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 72 F 8.51 3.07 0.00 2.51 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 73 Q 8.19 3.84 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 74 E 8.77 4.01 0.00 2.25 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 2.36 2.44 0.00 75 Y 8.14 4.20 0.00 3.21 2.88 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 76 C 7.87 3.65 0.00 2.87 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 77 V 7.58 3.49 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 1.01 0.00 0.00 0.92 0.00 0.00 78 F 8.13 4.24 0.00 3.03 3.11 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 0.00 0.00 0.00 0.00 79 L 7.57 3.53 0.00 1.50 1.38 0.44 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 80 S 7.92 4.01 0.00 3.92 3.83 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 0.00 0.00 0.00 81 C 7.78 4.06 0.00 3.00 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 82 I 7.14 3.54 1.62 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 -0.21 0.78 0.00 0.00 83 A 7.95 3.99 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 84 M 8.04 4.11 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.75 0.00 85 M 7.65 4.15 0.00 2.05 2.29 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.94 0.00 86 C 8.07 4.30 0.00 3.21 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 87 N 8.42 4.56 0.00 2.89 3.00 0.00 0.00 6.79 6.94 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 88 E 7.93 3.77 0.00 2.29 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.27 0.00 89 F 7.47 3.07 0.00 2.92 2.93 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 90 F 7.70 3.89 0.00 3.20 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 91 E 7.81 4.20 0.00 1.82 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 2.28 2.54 0.00 92 G 7.56 3.94 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 0.00 0.00 0.00 93 F 7.53 3.74 0.00 3.15 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 94 P 0.00 4.48 0.00 2.18 2.03 0.00 3.81 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 * Residues marked with a * may have inaccurate shift predictions.