NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.1935 8.2544 120.8531 55.7776 31.3199 175.7767 5 Q 3.8566 8.0839 122.3518 55.0778 29.9946 173.4117 *7 L 3.9283 8.9227 117.1984 54.7189 43.6141 175.7629 8 I 4.2209 7.9931 123.3286 60.9481 38.3412 175.0324 9 H 5.0498 9.1842 124.4863 54.0950 32.2387 173.3542 10 R 5.4078 8.7240 117.7834 54.8183 33.1126 174.9036 11 C 5.3602 9.1418 117.1032 56.9918 34.0944 172.2772 12 D 5.3656 9.0235 119.1500 52.7999 43.3452 175.6001 13 I 5.1479 8.2176 122.3337 59.7727 40.7667 174.1373 14 Y 5.0394 9.2886 123.4733 56.5932 41.1590 174.3497 15 H 5.6131 9.5635 121.6013 53.5745 30.5332 175.1960 16 E 3.9825 8.9132 121.3416 56.6306 30.2075 176.1972 17 A 4.7881 8.7832 123.7323 49.9828 23.2625 175.0266 18 A 4.5455 8.5480 122.4848 51.9285 19.0830 177.5233 19 Q 4.4472 9.2294 122.3910 54.3285 30.3947 176.0672 20 A 3.9516 8.5928 124.2845 51.9198 18.8305 176.0258 21 P 4.1149 0.0000 0.0000 63.3119 31.7496 176.1978 22 S 4.2538 8.4037 116.6582 56.2074 63.7168 172.9663 23 A 4.4396 8.1585 129.8446 52.0666 17.0709 176.7691 24 G 4.0083 8.4960 110.8291 44.0320 0.0000 171.8374 25 R 3.4098 9.2982 117.1116 57.2613 27.0758 176.3773 26 F 4.2402 9.4050 117.9347 57.3726 36.5929 175.6802 27 G 4.0529 7.6829 106.9047 46.1680 0.0000 174.6436 28 I 3.8080 7.4017 119.6920 60.2418 37.7634 174.4082 29 P 4.4382 0.0000 0.0000 62.6918 31.7178 176.3042 30 A 4.1188 8.3889 125.1696 52.1377 19.1232 176.2386 31 D 4.7297 8.3781 120.4382 53.1265 42.3809 177.9258 32 R 3.9418 8.5313 125.3649 58.9469 30.3667 177.1063 33 L 4.3321 8.5705 117.7725 55.3675 42.4586 177.0940 34 Q 4.5531 7.3738 117.2477 55.1384 29.5802 171.2575 35 P 4.4454 0.0000 0.0000 62.0440 32.9886 176.1959 36 V 4.0664 8.0916 119.2583 62.1996 32.5327 174.3821 37 I 4.8732 8.1420 129.3514 60.0849 38.6927 175.1320 38 S 4.3060 8.5460 120.0736 57.9752 66.7482 172.9570 39 Y 5.1010 8.2437 117.6459 55.9519 39.4251 174.3300 40 P 4.7008 0.0000 0.0000 62.1654 32.7372 176.3629 41 D 4.5562 8.8523 118.8830 56.9912 40.8944 177.1982 42 T 4.7168 7.5169 106.7337 58.7275 71.0834 172.3644 43 P 3.0579 0.0000 0.0000 62.5762 31.8932 176.6411 44 D 4.4182 8.1428 122.4694 56.2242 41.4067 176.9401 45 E 4.7116 7.6224 116.8260 54.2631 32.8717 174.4381 46 Q 4.8175 8.1412 121.6903 55.4015 32.4517 174.2655 47 D 4.3707 8.8700 121.7993 55.1589 40.5027 173.9984 48 V 4.1511 8.0454 119.2311 61.9420 33.1848 173.8519 49 P 5.1335 0.0000 0.0000 63.0854 32.4569 174.8298 50 C 5.0125 8.8272 116.0431 58.8821 33.6252 171.7779 51 Y 4.4664 7.5647 115.4497 55.5216 40.8586 173.8255 52 F 5.7439 8.0977 119.0895 56.3765 42.5073 174.2998 53 T 4.6586 8.4365 109.6205 60.2953 72.9462 172.9785 54 E 4.1291 8.9185 117.4268 57.1698 27.2150 175.7318 55 K 4.6384 8.1269 116.3326 57.0071 33.2117 177.3656 56 T 4.8318 9.2660 120.0128 62.0001 72.3464 173.1688 57 Q 5.2476 8.6988 123.3937 54.4730 32.5325 174.4846 58 Q 4.6105 8.7982 116.8943 55.0700 32.3682 173.1559 59 L 4.9442 8.4934 123.9770 54.4965 42.6379 176.0340 60 I 4.4501 8.7030 119.4808 60.8252 38.7443 175.0092 61 Q 4.6718 7.5597 122.4327 55.7204 32.2318 172.5232 62 E 5.1535 8.3534 121.3820 53.8824 33.8691 175.5837 63 E 3.7033 8.7694 116.7298 57.1143 26.5453 172.7907 64 P 4.6372 0.0000 0.0000 61.6217 33.4266 176.4656 65 D 5.3105 8.1433 117.9943 54.1723 42.5372 175.8017 66 Q 4.5759 8.4086 119.1419 54.9903 33.1741 173.7648 67 T 5.1498 8.6170 120.2074 61.8770 71.7868 173.5532 68 V 4.5901 8.4705 117.8994 59.3983 36.6568 174.0690 69 Y 4.6071 8.7632 119.4669 58.6048 38.0989 175.5484 70 H 4.7877 10.0007 125.3548 58.6714 31.5710 174.6619 71 S 4.5179 7.7385 110.3114 57.8540 65.8797 174.1305 72 F 5.0343 7.2547 112.7611 55.9681 41.6064 172.8828 73 L 4.6174 8.5280 123.3560 54.4090 43.0251 175.6439 74 V 4.3465 8.9305 127.7044 62.3634 33.4022 174.2118 75 H 5.1119 8.4223 124.3710 54.0179 30.8776 173.3688 76 F 5.3565 9.1121 121.9556 54.7576 42.9189 173.5869 77 P 4.7349 0.0000 0.0000 62.2804 31.8957 177.7267 78 L 3.6875 8.4482 123.2543 57.9788 42.1213 178.5516 79 S 4.3247 8.1042 111.5445 60.0974 63.3165 174.3620 80 A 4.0668 7.8176 124.6849 51.9730 18.5775 177.1182 81 D 4.4038 8.4364 121.8523 53.0654 40.1669 175.2292 82 I 4.2721 7.2298 126.4216 59.1093 39.1719 175.8331 83 R 4.4876 8.9893 123.5918 53.8794 33.8045 175.2697 84 V 3.6771 8.0074 120.5922 64.2925 32.1174 175.8903 85 N 4.5907 9.0711 121.9364 53.4858 36.5347 174.5739 86 D 4.9202 7.7937 119.0746 54.3613 42.5228 175.0199 87 K 4.8889 9.2969 123.6397 54.6396 34.3343 174.8468 88 I 5.2536 9.0906 121.3475 59.2654 40.9011 174.4596 89 I 5.1516 9.2246 126.1735 59.5810 39.5686 174.3649 90 W 5.1915 9.1677 135.0000 55.6933 33.4655 175.2498 91 E 3.3281 9.4615 128.1172 57.6501 26.2916 175.0424 92 N 4.3254 8.3231 110.7623 53.9131 36.8022 174.2585 93 H 4.8850 7.9439 115.6308 53.7481 31.7806 173.0830 94 K 4.8268 8.0210 121.3932 55.8602 33.9231 175.3714 95 Y 5.1505 8.8199 120.4725 56.3887 42.8211 174.1010 96 I 5.0456 8.5699 122.8197 59.3945 40.7917 174.8781 97 L 4.1909 8.7503 126.9337 55.7414 41.9449 176.1801 98 K 4.2677 8.9532 126.0111 57.1422 31.7271 178.1661 99 L 4.1022 8.3128 123.2238 54.4159 42.9914 175.5332 100 P 4.3628 0.0000 0.0000 62.9176 31.7115 176.2425 101 K 4.8745 8.0866 120.2072 56.1836 35.0469 174.9494 102 R 4.7140 8.8364 115.2220 55.8899 33.1425 173.4158 103 I 5.0403 8.2026 120.4613 59.0657 38.9562 175.7488 104 R 4.3790 8.3437 125.7824 56.5331 32.9480 174.2571 105 H 4.2001 9.4013 121.9044 57.4616 26.1070 174.2066 106 H 3.9902 8.5038 113.5846 57.3008 28.4665 173.1242 107 H 5.2040 7.6234 112.5490 53.1288 33.2700 172.4798 108 W 5.0233 9.1053 120.9759 56.2137 30.6558 175.2959 109 E 5.2958 9.7096 124.7830 54.6370 32.1338 175.4649 110 V 4.7132 8.3507 121.5438 60.6358 35.4360 172.7493 111 V 4.2833 8.4070 123.0636 62.5521 33.1262 174.2554 112 A 5.1236 8.6090 129.5929 50.0784 21.7918 175.4389 113 V 4.5305 8.5333 120.9450 60.3879 35.4226 174.4356 114 R 3.6894 9.0281 127.5519 57.1955 30.5463 175.7468 115 D 4.2422 8.8823 126.7205 57.9770 41.2445 178.2655 116 E 4.0917 8.0713 113.4738 57.2670 29.0026 177.4879 117 S 4.6580 7.7886 112.5825 57.9473 63.8646 174.2602 118 L 4.1870 7.8120 126.7418 55.2978 41.3711 176.5034 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 R 8.25 4.19 0.00 1.78 1.87 0.00 3.22 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 5 Q 8.08 3.86 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.37 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 *7 L 8.92 3.93 0.00 1.47 1.41 0.90 0.71 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 8 I 7.99 4.22 1.78 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.32 0.87 0.00 0.00 9 H 9.18 5.05 0.00 2.29 3.02 0.00 5.55 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.72 5.41 0.00 1.76 2.01 0.00 3.69 0.00 0.00 3.49 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 11 C 9.14 5.36 0.00 3.40 3.30 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 12 D 9.02 5.37 0.00 2.82 2.54 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 0.00 13 I 8.22 5.15 1.75 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.93 0.84 0.00 0.00 14 Y 9.29 5.04 0.00 2.52 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 15 H 9.56 5.61 0.00 3.10 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.91 3.98 0.00 1.78 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 2.41 2.18 0.00 17 A 8.78 4.79 1.19 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 0.00 0.00 18 A 8.55 4.55 1.21 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 0.00 0.00 0.00 0.00 0.00 19 Q 9.23 4.45 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.69 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 20 A 8.59 3.95 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 21 P 0.00 4.11 0.00 2.05 2.03 0.00 3.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 22 S 8.40 4.25 0.00 3.76 3.72 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 23 A 8.16 4.44 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 24 G 8.50 4.01 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 0.00 0.00 0.00 25 R 9.30 3.41 0.00 1.87 1.62 0.00 3.20 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 26 F 9.41 4.24 0.00 3.15 3.04 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 27 G 7.68 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 28 I 7.40 3.81 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 1.34 1.05 0.93 0.00 0.00 29 P 0.00 4.44 0.00 2.04 2.01 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 30 A 8.39 4.12 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 31 D 8.38 4.73 0.00 2.68 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.53 3.94 0.00 1.84 1.97 0.00 3.25 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 33 L 8.57 4.33 0.00 1.52 1.77 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.37 4.55 0.00 1.91 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 35 P 0.00 4.45 0.00 2.05 1.97 0.00 3.69 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.19 0.00 36 V 8.09 4.07 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 0.96 0.00 0.00 0.91 0.00 0.00 37 I 8.14 4.87 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.92 0.81 0.00 0.00 38 S 8.55 4.31 0.00 3.84 3.87 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 Y 8.24 5.10 0.00 2.85 2.96 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 40 P 0.00 4.70 0.00 2.27 2.14 0.00 4.15 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.22 0.00 41 D 8.85 4.56 0.00 2.73 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 42 T 7.52 4.72 4.22 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 0.00 0.00 1.24 0.00 0.00 43 P 0.00 3.06 0.00 1.81 1.59 0.00 3.57 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 1.94 1.81 0.00 44 D 8.14 4.42 0.00 2.53 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 45 E 7.62 4.71 0.00 1.87 1.74 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 2.23 2.18 0.00 46 Q 8.14 4.82 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 47 D 8.87 4.37 0.00 2.79 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 48 V 8.05 4.15 2.26 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 1.08 0.00 0.00 0.96 0.00 0.00 49 P 0.00 5.13 0.00 2.16 2.07 0.00 3.96 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 2.08 2.02 0.00 50 C 8.83 5.01 0.00 2.59 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 51 Y 7.56 4.47 0.00 2.82 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 52 F 8.10 5.74 0.00 2.55 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.44 4.66 4.34 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 1.31 0.00 0.00 54 E 8.92 4.13 0.00 2.11 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 2.29 2.37 0.00 55 K 8.13 4.64 0.00 1.83 2.07 0.00 1.39 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.55 7.81 56 T 9.27 4.83 4.35 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 1.30 0.00 0.00 57 Q 8.70 5.25 0.00 1.85 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.69 0.00 0.00 0.00 0.00 0.00 1.68 2.19 0.00 58 Q 8.80 4.61 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.91 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 59 L 8.49 4.94 0.00 1.65 1.60 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.70 4.45 1.88 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 1.27 0.82 0.92 0.00 0.00 61 Q 7.56 4.67 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 62 E 8.35 5.15 0.00 1.93 1.78 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 2.33 2.25 0.00 63 E 8.77 3.70 0.00 2.03 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 0.00 2.24 2.27 0.00 64 P 0.00 4.64 0.00 2.17 2.05 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 65 D 8.14 5.31 0.00 2.66 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 66 Q 8.41 4.58 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 67 T 8.62 5.15 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 1.15 0.00 0.00 68 V 8.47 4.59 2.16 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 0.75 0.00 0.00 0.99 0.00 0.00 69 Y 8.76 4.61 0.00 3.39 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 70 H 10.00 4.79 0.00 3.36 3.36 0.00 5.81 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 71 S 7.74 4.52 0.00 3.78 3.63 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 72 F 7.25 5.03 0.00 2.80 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 73 L 8.53 4.62 0.00 1.95 1.64 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.93 4.35 1.88 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 -0.04 0.00 0.00 0.82 0.00 0.00 75 H 8.42 5.11 0.00 1.60 2.56 0.00 5.80 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 F 9.11 5.36 0.00 3.13 2.94 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 77 P 0.00 4.73 0.00 2.30 2.06 0.00 3.88 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.18 0.00 78 L 8.45 3.69 0.00 1.40 1.52 -0.15 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.10 4.32 0.00 4.08 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 80 A 7.82 4.07 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 81 D 8.44 4.40 0.00 2.63 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 82 I 7.23 4.27 1.08 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 0.66 0.69 0.00 0.00 83 R 8.99 4.49 0.00 1.91 1.64 0.00 2.78 0.00 0.00 2.91 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.34 0.00 84 V 8.01 3.68 2.05 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 0.93 0.00 0.00 0.95 0.00 0.00 85 N 9.07 4.59 0.00 2.94 3.03 0.00 0.00 6.99 7.88 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 86 D 7.79 4.92 0.00 2.66 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 87 K 9.30 4.89 0.00 0.79 0.83 0.00 1.11 0.00 0.00 0.99 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.96 1.05 7.81 88 I 9.09 5.25 2.16 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.12 1.13 0.00 0.00 89 I 9.22 5.15 2.08 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.28 1.05 0.00 0.00 90 W 9.17 5.19 0.00 3.59 3.39 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 91 E 9.46 3.33 0.00 1.16 1.48 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 0.00 1.84 1.47 0.00 92 N 8.32 4.33 0.00 2.75 2.84 0.00 0.00 7.02 8.16 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 93 H 7.94 4.89 0.00 3.55 2.96 0.00 5.80 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 94 K 8.02 4.83 0.00 1.52 1.66 0.00 1.49 0.00 0.00 1.77 0.00 0.00 2.65 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.31 1.33 7.81 95 Y 8.82 5.15 0.00 2.93 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 96 I 8.57 5.05 1.89 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 1.22 1.16 1.02 0.00 0.00 97 L 8.75 4.19 0.00 1.65 1.64 1.05 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.95 4.27 0.00 1.61 1.63 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.51 7.81 99 L 8.31 4.10 0.00 1.62 1.63 0.92 0.98 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 0.00 100 P 0.00 4.36 0.00 2.05 2.00 0.00 3.67 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 2.03 2.08 0.00 101 K 8.09 4.87 0.00 1.99 1.84 0.00 1.17 0.00 0.00 1.39 0.00 0.00 2.58 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.29 1.53 7.81 102 R 8.84 4.71 0.00 1.92 2.09 0.00 2.77 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 103 I 8.20 5.04 1.72 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.64 0.65 0.00 0.00 104 R 8.34 4.38 0.00 1.74 1.85 0.00 3.24 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.57 0.00 105 H 9.40 4.20 0.00 3.32 3.29 0.00 5.92 0.00 0.00 0.00 0.00 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 H 8.50 3.99 0.00 3.14 3.26 0.00 5.86 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 0.00 107 H 7.62 5.20 0.00 3.29 3.25 0.00 5.68 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 W 9.11 5.02 0.00 3.49 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 0.00 109 E 9.71 5.30 0.00 1.99 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 1.94 2.19 0.00 110 V 8.35 4.71 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 0.82 0.00 0.00 0.99 0.00 0.00 111 V 8.41 4.28 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 0.83 0.00 0.00 0.90 0.00 0.00 112 A 8.61 5.12 0.71 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 0.00 0.00 0.00 0.00 0.00 113 V 8.53 4.53 2.01 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 0.87 0.00 0.00 0.81 0.00 0.00 114 R 9.03 3.69 0.00 2.17 1.91 0.00 3.23 0.00 0.00 3.33 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 115 D 8.88 4.24 0.00 2.60 2.55 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 0.00 0.00 0.00 0.00 116 E 8.07 4.09 0.00 1.97 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 2.28 2.25 0.00 117 S 7.79 4.66 0.00 4.04 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 0.00 118 L 7.81 4.19 0.00 1.81 1.62 1.01 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.