NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 N 4.6590 8.4093 117.7827 51.9105 39.1158 174.1948 5 N 4.3966 8.5249 121.3723 51.7154 38.5333 172.5870 6 H 5.0375 9.0977 114.6790 55.5078 30.5062 175.2432 7 I 4.6762 8.4340 120.0850 60.0165 38.4736 176.0070 8 R 4.5789 8.9113 128.4234 54.4578 32.2539 174.5010 9 L 5.1608 8.4775 125.7526 53.1197 43.9559 175.9192 10 R 4.7336 8.7095 121.9726 53.7328 34.7365 174.5914 11 K 4.3653 8.5336 122.4235 56.1980 32.9519 176.2002 12 A 4.1471 8.6347 130.7159 51.6135 18.7173 177.0602 13 E 4.1341 9.0630 123.2229 57.2433 30.6565 178.4187 14 G 3.7942 8.7089 110.9188 44.4670 0.0000 171.3209 15 K 4.6658 8.3962 120.0205 55.3268 33.6355 176.6888 16 W 5.1683 9.3729 127.5072 54.9123 32.4898 174.9208 17 V 5.1496 9.0851 122.8098 61.1633 34.8370 173.8862 18 I 4.9324 8.6442 126.8343 59.1570 40.7734 174.3609 19 R 4.8490 8.7675 124.4647 55.7743 33.5014 173.5220 20 T 4.6856 8.1006 110.5965 59.8761 71.1702 173.9855 21 D 4.5789 8.7922 119.6357 55.1515 39.6305 176.5700 22 S 4.5831 8.2830 111.6491 57.7071 64.9955 173.4361 23 A 4.4879 7.5243 122.7698 51.2002 21.7291 175.2167 24 V 4.3201 8.1656 120.3062 61.6087 32.3255 175.7113 25 L 4.3893 8.3251 127.6932 55.9559 43.2591 176.8644 26 G 4.2422 7.2380 102.5530 44.7022 0.0000 172.3648 27 E 5.4645 8.8434 121.8985 54.7228 33.1027 174.9695 28 T 4.7369 9.3601 117.7191 60.9202 71.3296 173.8783 29 L 4.9742 8.6629 125.1202 54.9047 42.1970 176.3761 30 N 5.0778 8.2266 116.2448 52.6898 39.9274 174.6144 31 A 4.2949 8.0493 119.0461 52.1504 20.1419 177.2504 32 I 4.6970 8.4995 120.8447 59.3919 40.3827 174.2881 33 E 4.7393 9.1830 128.4393 54.6847 31.3361 174.1591 34 L 5.1394 8.9463 129.2977 53.6121 44.8203 174.8691 35 T 4.8195 8.9098 123.2043 61.6926 71.7294 172.6271 36 E 4.6690 8.9201 127.8045 54.5434 31.0520 175.1814 37 G 3.7252 8.8503 119.9473 47.1966 0.0000 173.4689 38 S 4.6738 8.5767 119.8462 58.0437 63.3419 174.9196 39 R 4.1897 7.4736 119.3231 56.2477 30.3665 176.3819 40 D 4.5345 8.4722 120.2247 53.7115 41.4088 174.9856 41 P 4.6794 0.0000 0.0000 63.0821 32.3897 175.4636 42 V 4.4980 8.8319 121.5436 61.3065 34.1787 174.2387 43 I 4.4614 8.3177 128.3407 60.4054 38.5028 174.4536 44 Y 4.7565 9.0696 125.0881 56.3534 40.3071 174.6265 45 F 5.1945 9.8021 124.0415 54.9061 41.5641 173.9531 46 P 3.2064 0.0000 0.0000 61.8959 32.1121 177.2897 47 R 3.6586 8.2406 121.8435 59.3083 30.1267 178.2792 48 E 3.9195 7.9674 114.2213 58.5885 29.2416 176.9860 49 D 4.6833 8.1425 118.5308 53.8993 41.4837 175.6690 50 V 4.3637 7.3334 119.3228 60.6573 33.3345 175.2450 51 A 4.1722 8.5567 129.9670 51.9187 19.1234 177.9458 *53 V 3.8657 7.9170 118.1243 61.4429 32.7753 175.6539 *55 F 4.8224 7.8766 116.9542 58.7129 40.5063 174.9845 56 D 5.1280 9.0243 122.4546 51.9922 43.5401 175.5933 57 K 3.6442 9.0816 125.1840 56.8780 32.7550 175.7988 58 S 4.7302 8.1528 121.3467 56.5507 64.0860 174.0113 59 E 4.0633 8.7177 122.5140 58.8722 29.5664 178.0421 60 K 4.0543 7.7248 119.8707 56.8282 32.6058 176.7935 61 V 5.1477 8.1801 118.5173 60.0262 36.0109 174.6559 62 T 4.8264 8.8108 111.3782 60.0114 72.4601 172.2773 63 A 5.1975 8.6422 124.6293 50.5326 21.3033 175.5948 64 C 4.7228 9.0688 122.7657 56.8796 33.7238 173.1158 65 P 4.3213 0.0000 0.0000 65.5290 31.3488 177.6208 66 L 4.1811 7.8581 116.6936 56.7524 42.3212 177.8035 67 K 3.9495 7.5671 116.9063 57.2073 33.6554 174.5034 68 G 3.8237 7.8941 104.5003 43.9630 0.0000 171.5828 69 E 4.9617 8.9292 123.3092 55.1933 30.9002 176.7363 70 A 3.9059 9.2005 130.2250 51.1845 20.0264 176.3287 71 S 4.7961 8.9300 119.8441 58.0519 64.9032 173.3038 72 Y 5.1713 8.4759 119.9006 56.7136 41.4735 174.1653 73 Y 5.1871 9.3071 118.1151 56.7241 42.8331 174.6171 74 S 5.1849 9.2460 118.8729 57.3579 65.6804 173.0979 75 I 4.2902 8.3486 123.6541 59.4308 39.5398 174.7842 76 V 4.4110 8.2866 126.7881 61.7855 33.3370 175.1069 77 G 4.0534 8.5847 114.0071 44.4075 0.0000 172.8195 78 A 3.9579 8.7157 121.1527 55.3111 18.1665 179.0262 79 S 4.3589 8.2540 108.7476 58.5994 63.8799 173.3437 80 G 3.7637 7.0395 106.6499 44.0771 0.0000 172.2879 81 T 4.6000 8.2031 116.7496 63.1635 69.7457 175.3091 82 L 4.4642 9.1199 127.1189 52.8398 42.3566 175.3860 83 K 4.2021 8.5496 125.6720 56.9827 32.8861 175.9496 84 D 4.6712 8.7231 126.7434 55.5274 39.1857 174.2503 85 A 4.6470 8.1430 118.6581 53.0709 19.8007 177.6614 86 A 4.8028 8.4939 117.0629 49.7638 23.2321 175.0915 87 W 5.4517 7.6898 115.6503 55.3390 32.5402 173.7426 88 S 4.9458 8.9000 113.8307 57.8917 66.0494 173.0077 89 Y 4.7937 8.8347 124.8866 57.2677 37.1105 175.7643 90 E 4.2572 8.8140 124.1865 58.1849 30.5326 177.8514 91 S 4.6905 7.6775 113.3350 55.9654 63.3886 171.5851 92 P 4.7211 0.0000 0.0000 61.9763 32.7049 176.8639 93 K 4.2600 8.8371 122.0405 55.8864 33.5615 176.1076 94 E 4.4128 7.9404 122.7047 57.5960 29.4674 176.8595 95 G 3.9973 9.4611 115.2782 45.1994 0.0000 174.1072 96 L 4.5775 7.5472 118.7055 54.4974 42.0834 178.3203 97 E 4.0098 8.0548 120.5266 58.6996 29.6621 179.0391 98 A 3.8430 7.9251 121.3017 54.3892 18.7058 177.9547 99 I 3.2085 7.2314 107.2802 59.9776 37.7655 175.0872 100 A 4.3945 7.4460 124.8451 54.2736 18.1617 178.9550 101 G 4.0795 9.0222 111.7659 45.5262 0.0000 173.2804 102 Y 4.4821 8.3260 117.8289 57.9718 39.4595 174.5282 103 L 4.8063 9.0986 121.8578 53.1188 44.3402 175.5841 104 A 4.6980 7.5567 123.4730 49.7728 22.6856 174.8206 105 F 4.7419 7.6667 115.8448 55.1053 43.0076 174.9427 106 A 4.6155 9.1643 125.7479 51.5315 18.4338 176.9271 107 P 4.6796 0.0000 0.0000 64.4388 31.8808 178.2379 108 D 4.5680 8.2069 118.4064 55.9003 39.4426 176.6926 109 C 4.8305 7.7543 111.4688 57.6931 31.1760 173.1856 110 T 4.8770 7.9332 110.2067 60.0941 72.5682 172.4110 111 K 4.8015 9.0672 123.6201 54.6181 35.0572 174.8734 112 V 5.0306 8.3373 126.3369 61.0096 34.4696 174.5230 113 G 4.0245 8.5461 112.9308 45.8373 0.0000 171.9590 114 Q 3.3805 7.3605 121.9147 54.9297 29.9110 175.2344 115 Y 4.0059 8.5601 126.0006 57.8555 38.7871 175.0005 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 4 N 8.41 4.66 0.00 2.76 2.70 0.00 0.00 6.73 7.11 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 5 N 8.52 4.40 0.00 2.80 2.79 0.00 0.00 6.08 7.01 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 6 H 9.10 5.04 0.00 3.12 3.27 0.00 5.60 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.43 4.68 1.89 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.49 0.84 0.00 0.00 8 R 8.91 4.58 0.00 1.85 1.76 0.00 3.03 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 9 L 8.48 5.16 0.00 1.45 1.45 0.77 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.71 4.73 0.00 1.67 1.74 0.00 3.12 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 11 K 8.53 4.37 0.00 1.75 1.71 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.44 7.81 12 A 8.63 4.15 0.56 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 0.00 0.00 13 E 9.06 4.13 0.00 2.11 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 2.38 2.31 0.00 14 G 8.71 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 15 K 8.40 4.67 0.00 1.84 1.70 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.22 0.00 0.00 2.26 0.00 0.00 0.00 0.00 1.40 1.47 7.81 16 W 9.37 5.17 0.00 3.18 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 17 V 9.09 5.15 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 0.99 0.00 0.00 1.08 0.00 0.00 18 I 8.64 4.93 0.56 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.30 0.09 0.00 0.00 19 R 8.77 4.85 0.00 2.01 1.91 0.00 2.77 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 20 T 8.10 4.69 4.20 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 1.13 0.00 0.00 21 D 8.79 4.58 0.00 2.80 2.82 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 22 S 8.28 4.58 0.00 3.91 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.52 4.49 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 24 V 8.17 4.32 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 0.82 0.00 0.00 0.93 0.00 0.00 25 L 8.33 4.39 0.00 1.38 1.67 0.76 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.24 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 0.00 0.00 0.00 0.00 27 E 8.84 5.46 0.00 1.80 1.82 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 2.18 2.24 0.00 28 T 9.36 4.74 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 29 L 8.66 4.97 0.00 1.69 1.71 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.23 5.08 0.00 2.67 2.83 0.00 0.00 6.87 7.11 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 31 A 8.05 4.29 0.69 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 32 I 8.50 4.70 1.71 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.57 0.79 0.00 0.00 33 E 9.18 4.74 0.00 1.76 1.71 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 0.00 2.18 2.08 0.00 34 L 8.95 5.14 0.00 1.71 1.67 0.71 0.73 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 35 T 8.91 4.82 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 1.29 0.00 0.00 36 E 8.92 4.67 0.00 2.04 1.85 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 2.30 2.29 0.00 37 G 8.85 3.73 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 0.00 0.00 0.00 38 S 8.58 4.67 0.00 3.99 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 39 R 7.47 4.19 0.00 1.98 1.95 0.00 3.20 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 40 D 8.47 4.53 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 41 P 0.00 4.68 0.00 2.07 2.07 0.00 3.77 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 42 V 8.83 4.50 2.36 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 1.05 0.00 0.00 1.14 0.00 0.00 43 I 8.32 4.46 1.76 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.47 0.07 0.00 0.00 44 Y 9.07 4.76 0.00 3.00 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 45 F 9.80 5.19 0.00 3.04 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 46 P 0.00 3.21 0.00 1.87 1.34 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.86 0.00 47 R 8.24 3.66 0.00 1.85 1.81 0.00 3.08 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.34 0.00 48 E 7.97 3.92 0.00 2.05 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 2.16 2.28 0.00 49 D 8.14 4.68 0.00 2.89 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.33 4.36 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 0.47 0.00 0.00 0.93 0.00 0.00 51 A 8.56 4.17 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 *53 V 7.92 3.87 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 0.80 0.00 0.00 0.96 0.00 0.00 *55 F 7.88 4.82 0.00 2.80 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 56 D 9.02 5.13 0.00 2.62 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 57 K 9.08 3.64 0.00 1.79 1.66 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.16 0.68 7.81 58 S 8.15 4.73 0.00 3.92 3.78 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 59 E 8.72 4.06 0.00 1.96 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 2.29 2.22 0.00 60 K 7.72 4.05 0.00 1.60 1.52 0.00 1.34 0.00 0.00 0.71 0.00 0.00 2.13 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.69 1.08 7.81 61 V 8.18 5.15 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 0.83 0.00 0.00 0.99 0.00 0.00 62 T 8.81 4.83 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 1.11 0.00 0.00 63 A 8.64 5.20 1.26 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 0.00 0.00 0.00 64 C 9.07 4.72 0.00 3.02 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 65 P 0.00 4.32 0.00 2.06 2.10 0.00 3.71 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 2.02 2.11 0.00 66 L 7.86 4.18 0.00 1.54 1.63 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 67 K 7.57 3.95 0.00 0.88 0.85 0.00 0.95 0.00 0.00 1.51 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.12 1.15 7.81 68 G 7.89 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 69 E 8.93 4.96 0.00 2.06 1.95 0.00 0.00 0.00 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 2.49 0.00 70 A 9.20 3.91 0.79 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 71 S 8.93 4.80 0.00 3.81 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 72 Y 8.48 5.17 0.00 3.05 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 73 Y 9.31 5.19 0.00 3.10 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 74 S 9.25 5.18 0.00 3.81 3.78 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 75 I 8.35 4.29 1.69 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 -0.28 0.52 0.61 0.00 0.00 76 V 8.29 4.41 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 0.76 0.00 0.00 0.93 0.00 0.00 77 G 8.58 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 0.00 0.00 0.00 78 A 8.72 3.96 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 79 S 8.25 4.36 0.00 3.86 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.04 3.76 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 0.00 0.00 0.00 81 T 8.20 4.60 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 1.21 0.00 0.00 82 L 9.12 4.46 0.00 1.53 1.65 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.55 4.20 0.00 1.76 1.74 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.55 7.81 84 D 8.72 4.67 0.00 2.89 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 85 A 8.14 4.65 1.40 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 0.00 0.00 86 A 8.49 4.80 0.97 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 0.00 0.00 87 W 7.69 5.45 0.00 2.58 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 0.00 0.00 0.00 88 S 8.90 4.95 0.00 3.84 3.78 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 89 Y 8.83 4.79 0.00 3.01 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 E 8.81 4.26 0.00 2.02 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 0.00 2.40 2.57 0.00 91 S 7.68 4.69 0.00 3.84 3.78 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 92 P 0.00 4.72 0.00 1.94 1.91 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.34 0.00 93 K 8.84 4.26 0.00 1.82 1.69 0.00 1.70 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.37 7.81 94 E 7.94 4.41 0.00 1.95 1.82 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 2.26 2.35 0.00 95 G 9.46 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 96 L 7.55 4.58 0.00 1.74 1.44 0.76 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.05 4.01 0.00 2.03 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 2.38 2.34 0.00 98 A 7.93 3.84 1.12 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 0.00 0.00 99 I 7.23 3.21 1.34 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.66 0.38 0.00 0.00 100 A 7.45 4.39 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 0.00 101 G 9.02 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 0.00 102 Y 8.33 4.48 0.00 3.19 3.17 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 0.00 103 L 9.10 4.81 0.00 1.41 0.87 0.44 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.56 4.70 -0.36 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 0.00 105 F 7.67 4.74 0.00 2.77 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 0.00 106 A 9.16 4.62 1.59 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 0.00 0.00 107 P 0.00 4.68 0.00 2.32 2.43 0.00 4.08 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.05 0.00 108 D 8.21 4.57 0.00 2.85 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 C 7.75 4.83 0.00 3.18 3.02 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 0.00 110 T 7.93 4.88 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 1.25 0.00 0.00 111 K 9.07 4.80 0.00 1.79 1.65 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.38 7.81 112 V 8.34 5.03 2.28 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 1.31 0.00 0.00 1.05 0.00 0.00 113 G 8.55 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 0.00 0.00 0.00 114 Q 7.36 3.38 0.00 0.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 7.04 0.00 0.00 0.00 0.00 0.00 1.99 1.84 0.00 115 Y 8.56 4.01 0.00 2.78 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 * Residues marked with a * may have inaccurate shift predictions.