NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.3352 8.2493 123.5819 51.0571 19.9529 176.6365 4 P 4.2680 0.0000 0.0000 62.2937 32.1369 175.1804 5 I 3.8178 9.1773 123.5245 64.3903 38.2952 177.7222 6 L 4.4721 7.6182 118.6858 53.5528 41.8392 176.1590 7 K 4.5387 8.8673 121.5057 55.8855 34.0262 176.2905 8 D 4.3819 8.8707 122.4606 55.2446 38.1936 173.2895 9 V 4.2216 7.2325 116.8032 61.7657 33.3646 174.7648 10 V 4.7693 8.9963 128.2308 61.4096 33.3700 174.0261 11 A 5.2699 9.4338 130.7656 50.6562 21.7879 174.7231 12 Y 5.0176 8.9529 121.1552 55.6738 42.0595 174.4020 13 V 4.5981 7.5605 125.5545 61.1676 34.0474 175.0841 14 E 4.5305 9.3575 128.7441 54.1880 31.1647 172.0488 15 V 4.6574 8.7119 123.7844 60.3251 34.2915 173.9692 16 W 5.5404 8.8293 127.1774 54.3793 32.9945 175.4931 17 S 4.6449 9.5211 117.2832 58.3656 63.3374 175.6587 18 S 4.2987 8.8870 115.4872 60.6226 62.9750 174.5701 19 N 4.6270 8.2585 117.1322 52.1155 37.3206 176.1765 20 G 3.9039 8.2408 106.8475 46.3986 0.0000 175.0897 21 T 4.2267 8.2795 109.4122 62.8427 69.6067 174.4063 22 E 4.4271 8.3148 123.9620 54.0073 31.5662 173.7170 23 N 3.4593 7.9483 124.7981 52.1997 39.4190 173.8757 24 Y 4.4046 8.1948 122.5245 57.9425 38.7059 178.0311 25 S 4.2340 8.0773 119.9739 61.3522 62.6582 176.4702 26 K 4.0349 7.8710 122.2240 59.5057 31.8202 178.6634 27 T 3.6564 7.8238 115.7118 66.7443 68.2809 176.2509 28 F 4.1050 7.7360 118.4948 60.2239 38.9861 178.0138 29 T 3.8871 8.4008 116.0503 67.0627 68.2195 176.5381 30 T 3.8327 7.8059 117.3282 66.7462 68.2492 176.5781 31 Q 3.9454 7.4720 118.5162 59.0838 29.0662 178.8399 32 L 4.1392 8.1652 119.9805 57.7394 41.4409 179.7310 33 V 3.8506 7.7289 117.2249 65.8199 31.6590 179.2002 34 D 4.6398 8.2078 119.3253 53.8898 40.7595 177.3624 *36 G 4.0029 8.0333 104.6974 45.5719 0.0000 173.8822 37 A 4.5112 8.1356 122.1435 51.5439 19.5873 177.5715 38 K 4.4318 8.8788 119.4488 55.5845 34.0521 176.1695 39 V 4.7829 8.3298 123.2886 61.2150 33.7474 174.3939 40 S 4.7941 9.0826 123.4990 56.9546 62.9418 174.5414 41 K 4.2772 9.0615 126.3119 58.4854 32.3153 177.0545 42 T 4.8380 7.7309 107.2188 59.6381 71.4928 174.5185 43 F 4.3276 7.9796 125.9366 57.1309 37.7194 174.2948 44 N 4.7502 7.8089 122.5370 51.2980 39.6319 176.5111 45 K 4.1573 8.4316 115.9445 58.3300 32.3130 177.9418 46 Q 4.3222 8.3685 117.0856 56.0099 29.3466 176.3290 47 V 3.8890 7.6421 118.7636 63.8733 32.0324 175.3665 48 T 4.5160 9.2449 117.1301 62.7460 71.0540 174.2814 49 H 5.1934 8.1318 118.0736 53.7142 33.3401 172.4804 50 V 4.6759 8.8075 122.6625 61.1447 33.9774 174.4957 51 I 4.5993 8.5947 129.8268 60.6970 37.9697 174.5771 52 F 5.3168 9.1165 130.4502 56.1279 41.8252 174.5965 53 K 4.3218 8.5873 127.1489 55.3380 35.4542 175.7868 54 D 4.4107 8.5624 129.0206 55.2016 38.7655 173.3648 55 G 3.3837 5.8925 108.0408 44.4190 0.0000 173.2518 56 Y 4.5704 8.9316 117.4937 57.5329 39.7768 176.4077 57 Q 4.1910 9.0815 123.3232 59.4625 28.8850 179.3739 58 S 4.1866 8.3832 113.3792 62.0183 62.3439 176.4177 59 T 4.2982 8.1406 117.6384 66.2855 68.4836 176.5287 60 W 3.8910 8.5998 130.3260 60.6767 30.6481 177.7670 61 D 4.4339 8.9732 119.0882 57.3092 40.1832 178.7464 62 K 3.8631 8.3779 119.9818 59.2568 32.1091 178.7311 63 A 4.2053 8.6670 121.6113 55.3845 18.3163 179.6563 64 Q 3.7276 7.9794 116.5764 58.9037 28.5205 178.9697 65 K 3.9538 8.0160 119.9060 59.3688 32.3591 178.6422 66 R 4.1391 8.1678 116.8577 56.4280 30.1110 177.3685 67 G 3.7931 7.4615 106.0679 45.9831 0.0000 173.8016 68 V 3.9280 7.6238 118.9524 61.9199 32.7104 175.9185 69 K 4.0039 8.4258 126.2719 56.2191 32.9246 175.8988 70 L 4.8275 8.1584 124.8593 53.3957 43.2090 175.9151 71 V 4.4463 8.6049 117.4933 59.3207 35.7442 175.6045 72 S 5.0007 8.3383 117.0162 57.3812 65.0378 175.7402 73 V 3.4674 8.3048 112.9068 64.1541 31.0124 178.4854 74 L 3.8316 7.9467 119.9168 57.7335 41.8314 178.4814 75 W 4.2607 8.5568 128.4986 60.6004 30.5957 177.9291 76 V 3.1312 7.7402 118.0923 65.9855 30.8894 177.5246 77 E 3.8383 8.2704 118.9844 59.2892 29.3912 178.9991 78 K 3.8149 8.1345 118.8985 59.4090 32.0370 179.1860 79 C 4.2703 7.7682 118.7195 62.2490 27.7141 176.3736 80 R 3.8145 7.6599 118.6165 59.5816 29.7078 179.0140 81 T 3.9650 7.9477 114.6258 66.4368 68.5422 176.4445 82 A 4.1894 8.1605 121.5556 52.2842 18.6458 177.5462 83 G 3.8220 7.8970 104.7627 45.8452 0.0000 173.1377 84 A 4.4462 7.3659 119.3357 51.0603 22.0311 176.2521 85 H 4.7497 8.4674 120.0966 54.8468 28.6472 174.8196 86 I 4.0825 7.8552 126.2687 60.2414 38.0905 175.8512 87 D 4.5232 8.9377 122.7169 54.8881 41.1129 177.4792 88 E 3.7613 9.0701 126.0979 59.1955 29.6595 179.1351 89 S 4.2744 8.1964 111.9417 60.3329 63.4171 175.3566 90 L 3.8445 7.7550 121.1469 57.0581 41.6688 177.4347 91 F 5.0648 7.7091 115.3957 55.4399 39.6298 172.2067 92 P 4.5311 0.0000 0.0000 62.3842 32.5991 178.0887 93 A 4.4924 8.2707 122.5093 52.2695 19.0732 176.7841 94 A 4.8483 8.7648 121.2558 50.1169 21.9947 176.4347 95 N 4.0964 8.0309 117.0934 53.4232 38.9065 174.6406 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 3 A 8.25 4.34 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 4 P 0.00 4.27 0.00 2.47 2.08 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 5 I 9.18 3.82 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.50 0.83 0.00 0.00 6 L 7.62 4.47 0.00 1.63 1.61 0.88 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.87 4.54 0.00 1.80 1.74 0.00 1.83 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.39 7.81 8 D 8.87 4.38 0.00 2.91 2.85 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 9 V 7.23 4.22 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 1.02 0.00 0.00 1.06 0.00 0.00 10 V 9.00 4.77 2.32 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 0.82 0.00 0.00 0.99 0.00 0.00 11 A 9.43 5.27 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 12 Y 8.95 5.02 0.00 2.91 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.56 4.60 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 0.82 0.00 0.00 0.94 0.00 0.00 14 E 9.36 4.53 0.00 2.05 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 2.30 2.64 0.00 15 V 8.71 4.66 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 0.82 0.00 0.00 0.60 0.00 0.00 16 W 8.83 5.54 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.52 4.64 0.00 4.02 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 0.00 18 S 8.89 4.30 0.00 4.00 4.05 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 19 N 8.26 4.63 0.00 2.85 2.98 0.00 0.00 6.06 7.00 0.00 0.00 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 G 8.24 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 21 T 8.28 4.23 4.32 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 1.32 0.00 0.00 22 E 8.31 4.43 0.00 2.06 1.77 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 2.21 1.80 0.00 23 N 7.95 3.46 0.00 1.44 1.92 0.00 0.00 7.08 7.54 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 24 Y 8.19 4.40 0.00 3.12 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 25 S 8.08 4.23 0.00 3.69 3.79 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 26 K 7.87 4.03 0.00 1.79 1.71 0.00 1.58 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.52 7.81 27 T 7.82 3.66 4.06 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 0.00 0.00 0.49 0.00 0.00 28 F 7.74 4.10 0.00 3.16 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 29 T 8.40 3.89 4.38 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 1.21 0.00 0.00 30 T 7.81 3.83 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 31 Q 7.47 3.95 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.96 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 32 L 8.17 4.14 0.00 1.87 1.77 1.07 0.89 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 33 V 7.73 3.85 2.20 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 0.83 0.00 0.00 0.96 0.00 0.00 34 D 8.21 4.64 0.00 2.87 2.65 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 *36 G 8.03 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 37 A 8.14 4.51 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 38 K 8.88 4.43 0.00 1.77 1.77 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.42 7.81 39 V 8.33 4.78 2.12 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 0.86 0.00 0.00 1.02 0.00 0.00 40 S 9.08 4.79 0.00 3.99 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 41 K 9.06 4.28 0.00 1.88 1.95 0.00 1.80 0.00 0.00 1.79 0.00 0.00 3.13 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.49 7.81 42 T 7.73 4.84 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 1.30 0.00 0.00 43 F 7.98 4.33 0.00 1.51 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.81 4.75 0.00 3.01 3.01 0.00 0.00 6.14 6.48 0.00 0.00 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 K 8.43 4.16 0.00 1.76 1.87 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.40 7.81 46 Q 8.37 4.32 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 47 V 7.64 3.89 2.61 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 0.93 0.00 0.00 1.20 0.00 0.00 48 T 9.24 4.52 4.31 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 1.41 0.00 0.00 49 H 8.13 5.19 0.00 3.09 3.09 0.00 5.76 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.81 4.68 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 1.22 0.00 0.00 0.30 0.00 0.00 51 I 8.59 4.60 1.89 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.61 0.84 0.00 0.00 52 F 9.12 5.32 0.00 3.06 3.07 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 53 K 8.59 4.32 0.00 1.69 1.44 0.00 1.73 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.27 1.37 7.81 54 D 8.56 4.41 0.00 2.90 2.61 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 55 G 5.89 3.38 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 0.00 56 Y 8.93 4.57 0.00 3.14 2.83 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 57 Q 9.08 4.19 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.85 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 58 S 8.38 4.19 0.00 3.95 4.05 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 59 T 8.14 4.30 5.06 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 0.00 0.00 1.66 0.00 0.00 60 W 8.60 3.89 0.00 3.21 3.28 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 61 D 8.97 4.43 0.00 2.91 2.76 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 0.00 0.00 0.00 62 K 8.38 3.86 0.00 1.85 1.82 0.00 1.30 0.00 0.00 1.47 0.00 0.00 2.70 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.74 1.19 7.81 63 A 8.67 4.21 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 64 Q 7.98 3.73 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 1.83 2.23 0.00 65 K 8.02 3.95 0.00 1.83 1.92 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.47 7.81 66 R 8.17 4.14 0.00 1.81 1.91 0.00 2.77 0.00 0.00 3.00 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 67 G 7.46 3.79 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 0.00 0.00 0.00 68 V 7.62 3.93 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 0.76 0.00 0.00 1.11 0.00 0.00 69 K 8.43 4.00 0.00 1.43 1.37 0.00 1.35 0.00 0.00 1.44 0.00 0.00 2.71 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.22 7.81 70 L 8.16 4.83 0.00 1.06 1.15 -0.66 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.60 4.45 1.64 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 -0.10 0.00 0.00 0.72 0.00 0.00 72 S 8.34 5.00 0.00 4.03 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 0.00 73 V 8.30 3.47 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 0.09 0.00 0.00 0.81 0.00 0.00 74 L 7.95 3.83 0.00 1.74 1.71 0.73 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 75 W 8.56 4.26 0.00 3.79 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.74 3.13 2.33 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 1.07 0.00 0.00 1.22 0.00 0.00 77 E 8.27 3.84 0.00 2.04 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 2.20 2.30 0.00 78 K 8.13 3.81 0.00 1.58 1.68 0.00 1.51 0.00 0.00 1.40 0.00 0.00 2.65 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.00 0.21 7.81 79 C 7.77 4.27 0.00 2.50 2.61 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 80 R 7.66 3.81 0.00 1.90 1.91 0.00 3.10 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 81 T 7.95 3.96 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 1.17 0.00 0.00 82 A 8.16 4.19 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 83 G 7.90 3.82 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 0.00 0.00 0.00 84 A 7.37 4.45 1.23 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 0.00 0.00 85 H 8.47 4.75 0.00 3.40 3.27 0.00 5.75 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 I 7.86 4.08 1.98 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 1.41 0.96 1.23 0.00 0.00 87 D 8.94 4.52 0.00 2.74 2.63 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 88 E 9.07 3.76 0.00 1.95 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 0.00 1.95 1.56 0.00 89 S 8.20 4.27 0.00 3.93 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 90 L 7.76 3.84 0.00 1.49 0.52 0.94 0.57 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 91 F 7.71 5.06 0.00 3.31 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 92 P 0.00 4.53 0.00 2.12 2.04 0.00 3.84 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 93 A 8.27 4.49 1.61 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 94 A 8.76 4.85 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 95 N 8.03 4.10 0.00 1.44 1.56 0.00 0.00 6.88 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.