NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7993 8.2516 119.7019 55.1365 33.4481 173.9799 2 V 3.9815 8.0044 120.1797 61.9695 32.8552 173.6731 3 K 4.5086 9.2186 127.9375 54.6391 34.0098 175.2257 4 Q 4.5593 8.7778 127.4611 56.1403 29.8933 175.1399 5 I 4.4992 8.5907 127.2454 59.3088 39.3934 175.3114 6 E 4.7503 8.5795 126.6469 54.9135 31.1135 175.9021 7 S 4.6101 7.6351 111.8226 56.2351 66.6133 174.8873 8 K 3.9803 8.5065 123.5019 59.9486 31.9172 179.1029 9 T 3.8566 7.9260 115.3405 66.6749 68.4776 176.3077 10 A 3.9791 8.2877 122.8239 54.8851 18.3951 179.3644 11 F 3.9243 8.3636 119.1811 61.6241 39.4396 177.3374 12 Q 3.9436 8.4830 117.7872 59.1573 28.6667 178.8707 13 E 3.9319 8.4112 119.3899 59.1970 29.2126 179.3345 14 A 3.9185 7.7660 120.1534 55.0168 18.7414 179.3483 15 L 3.8162 7.5326 117.4954 57.9298 41.3986 179.4517 16 D 4.3682 8.2279 117.8944 56.5101 39.8125 177.6402 17 A 4.4571 7.6480 119.0925 52.0939 19.1811 178.4590 18 A 4.0940 8.2562 121.4050 51.7998 18.5832 179.8300 19 G 3.7013 7.7333 105.5051 47.1522 0.0000 174.7578 20 D 4.6338 8.8592 123.4921 53.0867 39.8073 176.3156 21 K 4.3358 7.8046 120.0686 55.4709 33.2564 176.3576 22 L 4.3457 8.2814 123.8983 55.2323 43.6435 175.5212 23 V 4.6899 8.9886 125.7117 61.0981 34.2869 174.0841 24 V 4.4258 8.5373 128.4418 61.0178 33.8013 174.2442 25 V 4.7338 8.6028 128.1608 61.1223 34.2152 173.5500 26 D 4.5679 8.8850 128.6555 52.6738 42.4740 174.8041 27 F 4.9532 8.7056 126.6042 56.5878 40.7091 175.6428 28 S 4.7745 8.9877 118.6095 56.7261 67.9136 172.5146 29 A 4.8820 7.6595 120.7371 50.2315 21.8975 177.5079 30 T 3.8913 8.5278 109.6978 63.3728 69.2288 175.2799 31 W 4.5710 7.5005 117.9343 56.5865 28.7690 176.9886 32 C 4.7764 7.4901 120.3226 54.8055 44.5296 174.0662 33 G 3.6551 8.5737 115.3386 47.6761 0.0000 172.0332 34 P 4.3581 0.0000 0.0000 64.9896 31.0574 179.3827 35 C 4.2337 8.0502 114.4361 60.0801 39.6467 175.8315 36 K 4.0381 7.7815 119.5992 59.6171 31.3615 179.4521 37 M 4.1530 7.8837 118.3789 58.3152 32.1605 178.2328 38 I 4.1065 8.0952 117.9677 62.7445 38.1888 177.5921 39 K 4.0427 7.7825 120.0728 59.5993 31.9566 176.7722 40 P 4.3647 0.0000 0.0000 65.4668 31.1738 178.3497 41 F 4.3800 8.3418 120.5058 60.7151 39.4055 176.7424 42 F 4.1438 8.8542 120.6892 61.6450 39.3155 176.7572 43 H 3.8668 8.5265 116.0797 58.6620 28.5200 177.6882 44 S 4.0202 8.1784 116.3554 61.7132 62.6292 176.7124 45 L 3.9798 7.6390 123.4300 57.0847 41.3202 179.6610 46 S 2.7900 6.9414 113.7738 60.2982 62.4577 176.0072 47 E 4.2048 7.2560 120.8404 57.9897 29.5281 178.4131 48 K 3.9583 7.6491 119.2190 58.7169 33.9912 178.1874 49 Y 4.5145 8.1908 120.8193 56.5789 35.4280 176.2712 50 S 4.3260 8.1629 116.8182 59.8656 64.0152 175.6251 51 N 4.9345 8.1747 117.6609 52.4028 37.4349 174.0440 52 V 4.4799 7.6327 117.7025 61.7448 34.2453 174.8971 53 I 4.2792 8.6117 128.6246 60.5895 38.6290 174.6337 54 F 4.9786 8.9475 125.9817 55.6727 41.3890 174.3277 55 L 5.2778 9.2599 124.4677 53.0089 44.6006 175.2980 56 E 4.8874 8.9323 122.5227 54.8119 31.8691 175.1523 57 V 4.4223 8.4210 124.2780 60.8769 34.7122 173.7740 58 D 4.8826 8.6070 128.4001 53.8462 41.6780 177.2993 59 V 3.8141 8.6835 120.0324 64.4603 32.1124 178.2325 60 D 4.5536 8.5826 119.2855 56.5289 40.9162 176.6167 61 D 4.6614 7.9796 118.3013 54.8980 40.7259 177.1458 *63 Q 4.5681 8.3030 120.7065 56.0471 31.0124 177.3571 64 D 4.2804 8.0347 117.6332 56.4741 39.1941 178.7493 65 V 3.3648 7.5798 117.9980 65.2892 31.9148 177.1706 66 A 3.7721 7.8951 120.0387 55.1897 17.9825 179.4140 67 S 3.9808 7.9180 110.2334 61.2361 62.6598 177.8723 68 E 4.0903 8.1684 121.3420 55.7544 29.7248 176.4418 *70 E 4.0692 8.1565 113.4399 55.4878 31.0610 176.6116 71 V 3.5683 7.5308 118.8621 62.7492 32.2612 174.8197 72 K 4.4141 8.6839 125.0217 57.4492 34.3008 176.1157 73 C 4.9199 7.8314 113.7266 57.9996 30.6999 172.8539 74 M 4.4584 8.3626 122.2359 52.8060 33.6997 174.3074 75 P 4.5211 0.0000 0.0000 62.7543 33.5796 174.8575 76 T 4.7374 8.1283 117.1933 61.7452 71.6543 173.1001 77 F 5.6344 8.4992 124.7659 55.0925 41.2969 174.6791 78 Q 5.1272 8.4949 122.0192 53.9980 32.3417 174.4046 79 F 5.1642 8.8951 121.0397 55.6936 42.4733 174.2002 80 F 5.3569 9.4268 122.0078 55.7074 42.9640 174.1901 81 K 4.6820 9.3892 123.1434 55.7223 35.8807 176.0560 82 K 3.8653 9.7439 127.1965 57.7077 29.5998 175.6394 83 G 4.0014 8.3664 102.1391 45.8065 0.0000 173.0657 84 Q 4.6317 8.0875 117.9413 53.4373 32.2532 174.5659 85 K 4.2747 8.7545 122.6512 56.2581 32.3509 176.7156 86 V 4.2996 8.2084 119.5436 61.0296 33.0544 175.7986 87 G 4.1375 7.7116 105.9999 46.1460 0.0000 172.0310 88 E 5.6485 8.8683 120.0064 55.2033 32.6796 173.8851 89 F 5.3218 9.1438 120.4344 55.8659 42.0587 172.8434 90 S 5.1548 9.1720 113.2178 57.0785 65.8419 174.3535 91 G 4.0795 9.0490 107.8475 45.7113 0.0000 174.4141 92 A 4.5090 8.2927 124.7948 50.9349 17.4705 179.1443 93 N 4.7247 8.0344 120.8435 51.5375 39.8875 174.6381 94 K 4.0417 8.3611 128.0927 59.4403 32.3474 178.5177 95 E 3.9130 8.1478 119.0475 59.4361 29.4034 178.7065 96 K 3.7879 8.4415 119.4157 59.1710 32.1934 178.3838 97 L 4.2332 8.1528 120.6466 58.3733 42.0416 178.5267 98 E 3.9752 8.7281 119.1658 59.2737 29.6280 178.4827 99 A 3.9898 8.1110 120.7082 55.6246 18.1934 179.8028 100 T 3.6135 7.7563 112.9888 66.5540 68.7425 176.7654 101 I 3.7291 7.6993 121.6517 64.3013 36.8767 177.7984 102 N 4.1364 8.1846 118.3857 56.8048 38.5824 176.7143 103 E 4.0051 8.0548 117.1292 58.4420 29.6900 177.9444 104 L 4.5007 7.3022 117.3661 53.9501 42.2465 176.5166 105 V 3.7562 7.3343 124.5747 63.4725 31.4301 175.5094 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 M 8.25 4.80 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 2 V 8.00 3.98 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 0.97 0.00 0.00 0.55 0.00 0.00 3 K 9.22 4.51 0.00 1.77 1.73 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.51 7.81 4 Q 8.78 4.56 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.72 0.00 0.00 0.00 0.00 0.00 2.63 2.41 0.00 5 I 8.59 4.50 1.91 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 1.40 1.08 1.05 0.00 0.00 6 E 8.58 4.75 0.00 1.90 1.89 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 2.38 2.26 0.00 7 S 7.64 4.61 0.00 4.01 3.92 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 K 8.51 3.98 0.00 1.97 1.86 0.00 1.80 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.56 7.81 9 T 7.93 3.86 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 1.22 0.00 0.00 10 A 8.29 3.98 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 11 F 8.36 3.92 0.00 3.22 3.23 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 0.00 12 Q 8.48 3.94 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.74 0.00 13 E 8.41 3.93 0.00 2.03 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 2.48 0.00 14 A 7.77 3.92 1.20 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 0.00 0.00 0.00 15 L 7.53 3.82 0.00 1.34 1.43 -0.09 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.23 4.37 0.00 2.74 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 17 A 7.65 4.46 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 18 A 8.26 4.09 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 19 G 7.73 3.70 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 0.00 0.00 0.00 20 D 8.86 4.63 0.00 2.78 2.79 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 0.00 0.00 0.00 21 K 7.80 4.34 0.00 1.84 1.77 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.57 7.81 22 L 8.28 4.35 0.00 1.94 1.49 1.11 0.71 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 23 V 8.99 4.69 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 0.82 0.00 0.00 0.87 0.00 0.00 24 V 8.54 4.43 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.50 0.00 0.00 25 V 8.60 4.73 2.15 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 0.32 0.00 0.00 1.05 0.00 0.00 26 D 8.88 4.57 0.00 1.71 1.75 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 27 F 8.71 4.95 0.00 2.82 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 28 S 8.99 4.77 0.00 3.49 3.49 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 29 A 7.66 4.88 0.05 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 0.00 0.00 30 T 8.53 3.89 4.25 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 1.24 0.00 0.00 31 W 7.50 4.57 0.00 3.51 3.24 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 32 C 7.49 4.78 0.00 2.05 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 33 G 8.57 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 0.00 0.00 0.00 34 P 0.00 4.36 0.00 2.19 2.16 0.00 3.63 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 2.15 2.22 0.00 35 C 8.05 4.23 0.00 3.00 2.99 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 36 K 7.78 4.04 0.00 1.98 1.87 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.45 7.81 37 M 7.88 4.15 0.00 2.04 2.31 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.57 0.00 38 I 8.10 4.11 2.04 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.90 1.17 0.00 0.00 39 K 7.78 4.04 0.00 2.10 2.07 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.66 7.81 40 P 0.00 4.36 0.00 2.31 2.15 0.00 3.97 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 2.18 2.20 0.00 41 F 8.34 4.38 0.00 3.20 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.85 4.14 0.00 3.36 3.27 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 43 H 8.53 3.87 0.00 3.47 3.31 0.00 5.88 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.18 4.02 0.00 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 0.00 45 L 7.64 3.98 0.00 1.43 1.78 0.68 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 46 S 6.94 2.79 0.00 3.25 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 47 E 7.26 4.20 0.00 1.99 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 2.21 2.37 0.00 48 K 7.65 3.96 0.00 1.55 1.72 0.00 1.62 0.00 0.00 1.48 0.00 0.00 2.60 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.37 1.08 7.81 49 Y 8.19 4.51 0.00 3.31 2.99 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 50 S 8.16 4.33 0.00 3.97 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 51 N 8.17 4.93 0.00 2.87 2.95 0.00 0.00 5.79 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 52 V 7.63 4.48 2.52 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 0.43 0.00 0.00 0.95 0.00 0.00 53 I 8.61 4.28 1.91 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 1.22 0.53 0.87 0.00 0.00 54 F 8.95 4.98 0.00 2.76 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.26 5.28 0.00 1.49 1.52 0.65 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.93 4.89 0.00 1.97 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 2.18 2.53 0.00 57 V 8.42 4.42 1.45 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 1.01 0.00 0.00 0.72 0.00 0.00 58 D 8.61 4.88 0.00 2.73 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 59 V 8.68 3.81 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 0.83 0.00 0.00 0.93 0.00 0.00 60 D 8.58 4.55 0.00 2.86 2.75 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 61 D 7.98 4.66 0.00 2.80 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 *63 Q 8.30 4.57 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.91 0.00 0.00 0.00 0.00 0.00 2.55 2.32 0.00 64 D 8.03 4.28 0.00 2.84 2.90 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 65 V 7.58 3.36 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 0.11 0.00 0.00 0.75 0.00 0.00 66 A 7.90 3.77 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 67 S 7.92 3.98 0.00 3.82 3.85 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 0.00 0.00 0.00 0.00 68 E 8.17 4.09 0.00 1.96 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 2.32 2.40 0.00 *70 E 8.16 4.07 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 2.36 2.23 0.00 71 V 7.53 3.57 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 0.50 0.00 0.00 -0.25 0.00 0.00 72 K 8.68 4.41 0.00 1.73 1.78 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.42 7.81 73 C 7.83 4.92 0.00 2.94 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 74 M 8.36 4.46 0.00 1.55 1.67 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.36 0.00 75 P 0.00 4.52 0.00 1.30 1.83 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 76 T 8.13 4.74 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 1.12 0.00 0.00 77 F 8.50 5.63 0.00 2.19 2.39 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 78 Q 8.49 5.13 0.00 2.25 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 79 F 8.90 5.16 0.00 2.90 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 80 F 9.43 5.36 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 81 K 9.39 4.68 0.00 1.87 1.63 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.49 7.81 82 K 9.74 3.87 0.00 1.90 1.83 0.00 1.87 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.43 7.81 83 G 8.37 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 0.00 0.00 0.00 84 Q 8.09 4.63 0.00 2.24 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.92 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 85 K 8.75 4.27 0.00 1.81 1.73 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.72 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.24 0.75 7.81 86 V 8.21 4.30 2.07 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 0.73 0.00 0.00 0.97 0.00 0.00 87 G 7.71 4.14 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 0.00 0.00 0.00 88 E 8.87 5.65 0.00 1.98 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 2.27 2.32 0.00 89 F 9.14 5.32 0.00 3.23 3.19 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 0.00 0.00 0.00 90 S 9.17 5.15 0.00 4.00 3.86 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 91 G 9.05 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 92 A 8.29 4.51 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 93 N 8.03 4.72 0.00 2.85 2.80 0.00 0.00 7.06 6.78 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 94 K 8.36 4.04 0.00 1.52 0.95 0.00 1.35 0.00 0.00 0.61 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.36 7.81 95 E 8.15 3.91 0.00 1.99 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 2.36 2.38 0.00 96 K 8.44 3.79 0.00 1.68 1.61 0.00 1.27 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.45 1.03 7.81 97 L 8.15 4.23 0.00 2.02 2.10 0.67 0.67 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 98 E 8.73 3.98 0.00 2.40 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 2.47 2.52 0.00 99 A 8.11 3.99 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 0.00 100 T 7.76 3.61 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 0.00 101 I 7.70 3.73 1.70 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 1.36 1.08 0.25 0.00 0.00 102 N 8.18 4.14 0.00 2.91 2.81 0.00 0.00 7.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.05 4.01 0.00 2.13 2.02 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 2.42 2.26 0.00 104 L 7.30 4.50 0.00 1.59 1.70 0.79 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.33 3.76 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 0.79 0.00 0.00 1.07 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.