NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5652 8.1476 120.3425 55.3650 33.6477 175.0968 2 N 4.9930 8.5103 121.1943 50.7233 40.6971 174.5026 3 I 3.3115 9.1003 120.3808 64.2595 38.3366 178.9512 4 S 4.0971 8.1428 115.6214 61.5780 62.6617 176.1383 5 D 4.3327 7.9699 121.1501 57.3427 40.5480 178.8763 6 V 3.4381 7.5099 118.0426 65.6773 31.3606 177.8820 7 A 4.2784 7.8456 121.8607 54.5372 18.0109 179.7538 8 K 3.8782 7.7625 115.5179 59.7021 32.2441 179.3872 9 I 3.8472 7.6445 118.8999 64.5572 37.1576 178.2498 10 T 4.1828 8.1544 109.2676 62.3336 69.0280 175.9530 11 G 3.9060 8.3727 109.2916 45.2320 0.0000 173.0880 12 L 4.5839 7.5112 119.5023 53.3941 43.4307 176.5226 13 T 4.4031 8.0322 111.6615 61.4564 71.1644 176.0794 14 S 4.1842 8.4842 117.8070 61.5003 62.7836 177.1990 15 K 3.9772 7.9960 120.8689 59.3619 31.8145 179.0397 16 A 3.8071 8.0737 121.0711 55.0692 18.3750 179.7975 17 I 3.9273 7.8656 118.4234 64.7583 37.1956 178.9470 18 R 4.0814 8.3693 119.1138 58.9657 29.7884 178.9433 19 F 4.0802 8.3608 120.7437 61.5740 39.3445 176.7704 20 Y 4.2469 8.1857 116.6076 61.0133 37.6063 178.4421 21 E 3.9424 8.2650 119.8182 59.4051 29.6508 178.3376 22 E 4.0033 8.3424 118.3046 58.8353 29.6071 177.9519 23 K 4.3114 7.7420 115.9049 54.9163 32.3042 176.5515 24 G 4.0163 8.0636 107.2282 46.6331 0.0000 175.2004 25 L 4.2887 8.2001 120.5347 55.5617 42.1733 177.3493 26 V 4.5994 7.2923 109.9407 59.1298 35.5809 175.1556 27 T 4.0305 8.9497 119.1037 62.8412 68.6633 173.2762 28 P 4.3326 0.0000 0.0000 62.0320 31.8924 174.5310 29 P 4.4221 0.0000 0.0000 62.6863 32.6483 175.8852 30 M 4.4384 8.3457 120.7671 55.2393 34.0118 174.8336 31 R 5.2029 8.1889 118.1222 54.5346 32.9698 177.0192 32 S 4.5009 9.0626 118.1729 57.3559 64.5187 174.8119 33 E 3.8692 8.7483 119.1404 59.7134 29.0459 178.0807 34 N 4.4232 8.0593 112.7514 53.1256 38.7207 175.5671 35 G 3.6953 8.0929 106.6003 45.7769 0.0000 172.9961 36 Y 4.8882 7.6160 117.0954 55.9824 40.1243 175.5828 37 R 4.3901 8.8002 121.6900 56.9305 30.9768 176.1000 38 T 4.8164 8.2475 119.7403 62.0776 70.8738 173.1980 39 Y 4.7402 9.3630 124.6917 56.5841 40.5080 175.1248 40 T 4.7518 8.5515 111.2943 59.4461 72.0166 174.6166 41 Q 3.9981 8.5824 120.6327 59.2539 28.7516 177.6086 42 Q 4.0533 7.8427 120.0690 59.6454 28.9779 178.1595 43 H 4.2622 8.1994 116.5909 58.8713 28.8136 177.6082 44 L 4.0017 7.7563 120.9313 57.9037 41.3842 179.3657 45 N 4.2351 8.4288 116.5274 56.2090 38.3946 177.3810 46 E 3.7603 8.3990 120.1265 59.4733 29.5454 179.5016 47 L 3.8176 8.1891 119.2582 57.8519 41.6056 179.8374 48 T 3.7828 7.9387 115.8720 66.4173 68.4100 176.4985 49 L 3.7740 7.8364 122.4699 57.8991 42.0903 178.7614 50 L 3.7460 7.8418 120.3281 58.0432 42.0231 178.9483 51 R 3.8739 7.9785 118.6585 59.6951 30.1259 178.5659 52 Q 4.0144 8.5645 118.0370 58.6497 28.7545 178.4661 53 A 4.1002 8.4314 122.3028 55.2530 18.4045 179.7520 54 R 4.6270 7.8245 117.6511 59.2944 30.0316 179.3699 55 Q 4.0958 8.0753 116.2233 58.2160 28.6623 178.4192 56 V 4.2542 7.2301 117.9836 61.5083 31.8705 176.0640 57 G 3.9266 7.9807 109.2982 46.3017 0.0000 175.2614 58 F 4.4297 8.2313 119.2774 57.1908 39.6408 175.2303 59 N 5.1815 9.5342 123.2296 51.7317 40.0035 175.9813 60 L 4.0439 8.5345 119.2973 58.3109 41.6164 179.1519 61 E 3.9581 8.2927 118.1051 59.6621 29.5935 178.6679 62 E 4.0454 9.3272 118.6945 59.6644 29.5276 179.6323 63 S 4.1089 8.7333 115.7646 61.4241 62.8730 176.9612 64 G 3.6185 8.4029 108.8947 47.8459 0.0000 175.6673 65 E 4.1712 8.1967 120.9016 59.1431 29.3638 179.4049 66 L 3.8793 7.8365 119.2061 57.6145 41.6001 179.7037 67 V 3.5992 7.7421 118.3181 65.9274 31.2242 177.7980 68 N 4.3069 7.8772 115.2134 56.4902 38.6288 177.0661 69 L 4.0020 8.1965 120.5705 57.4986 41.3961 179.3187 70 F 4.1982 8.1254 120.0704 61.5487 39.5060 176.7657 71 N 4.1404 7.9004 113.5428 53.8875 38.5497 174.9371 72 D 4.4435 7.0624 121.0222 53.0676 41.8910 173.9293 73 P 4.3502 0.0000 0.0000 65.7037 32.1240 178.0296 74 Q 4.2347 8.1502 118.8088 55.9433 28.5673 176.5622 *76 H 4.6436 8.6026 111.0222 55.6942 30.7004 175.5792 77 S 4.1054 8.5213 117.4193 61.9807 62.6277 176.1726 78 A 3.9895 7.9808 122.5191 55.1169 18.1733 178.9003 79 D 4.2624 8.0673 115.9864 57.6795 41.3417 178.3977 80 V 3.5812 7.9643 118.7350 65.9368 31.4029 177.8293 81 K 3.9474 8.1776 119.3744 59.3582 32.0110 178.7567 82 R 3.8992 8.0833 119.0051 59.6139 30.0505 178.7381 83 R 4.0442 8.2312 117.9040 59.5684 30.0669 179.2990 84 T 4.1192 8.3594 115.8090 66.8187 68.5492 176.9379 85 L 4.0678 8.4207 121.2874 57.5974 41.5746 179.2136 86 E 3.9676 8.3084 119.6473 58.9413 29.4651 178.7386 87 K 3.7857 7.9969 119.9273 59.2092 32.0837 178.9390 88 V 3.4883 7.7710 118.3100 66.0336 31.5291 177.8248 89 A 4.1093 8.0528 120.4352 55.1137 18.2863 179.2334 90 E 3.8389 8.2610 117.7595 59.5893 29.7230 179.1968 91 I 3.7678 7.9677 120.0653 64.4039 37.0324 178.3415 92 E 4.0636 8.5296 119.8063 59.3329 29.1584 179.6219 93 R 3.9197 8.0100 118.2856 59.2882 30.0711 178.5408 94 H 4.2217 8.0753 117.8024 59.4113 29.8849 177.3933 95 I 3.6404 8.1722 122.0819 64.2690 36.8330 178.0782 96 E 3.9047 8.3728 120.4243 59.1981 29.4502 178.4935 97 E 3.9251 8.4213 119.5365 59.3146 29.6714 178.7841 98 L 3.9854 8.1046 119.0887 57.8877 41.5814 179.5387 99 Q 3.9951 8.2675 118.1159 58.8634 28.6199 178.7815 100 S 4.0610 8.2640 114.2436 61.7460 62.4903 176.1790 101 M 4.3278 8.1841 122.8470 57.6769 31.6301 178.6692 102 R 3.8739 8.3643 119.3178 59.7436 30.3303 178.4183 103 D 4.3754 8.3199 118.6854 57.3520 40.5281 178.8665 104 Q 4.0162 8.2711 118.7500 58.9150 28.6514 178.7293 105 L 4.0950 8.0780 120.0621 57.8221 41.6555 179.6088 106 L 4.0511 8.2084 118.7027 57.3832 41.3382 179.4595 107 A 3.9959 8.1184 121.1209 55.0969 18.4691 179.7003 108 L 3.9397 7.9881 117.3945 57.7963 41.4490 179.5770 109 A 4.0050 8.1716 120.3443 55.2101 18.3989 178.9614 110 N 4.3679 8.0553 114.4073 56.5335 39.0851 176.6021 111 A 4.1667 7.5537 121.1847 53.1785 18.1291 177.4331 112 C 4.2073 7.4526 118.8006 58.6970 32.1381 172.8645 113 P 4.4158 0.0000 0.0000 63.6891 31.1880 176.4590 114 G 4.0855 7.4708 106.2070 46.5860 0.0000 172.4318 115 D 4.8254 7.7952 120.3400 52.2909 41.3546 175.4234 116 D 4.7458 8.7431 122.5279 53.5497 39.8586 176.4062 117 S 4.4541 8.2561 114.6233 57.7775 64.0107 174.5003 118 A 4.0431 8.4231 124.8066 54.6570 18.5070 177.6062 119 D 4.2829 7.3171 113.1355 54.9016 40.9677 176.4747 120 C 4.5940 8.4056 123.9055 56.3367 34.2944 172.3176 121 P 4.3147 0.0000 0.0000 65.2934 30.9872 178.8161 122 I 3.6923 7.6418 118.5178 64.4490 37.1383 178.2395 123 I 3.6931 7.6384 119.9760 64.4445 36.8378 177.9447 124 E 3.9462 8.0547 118.7987 59.1467 29.5522 177.9120 125 N 4.6334 8.0969 113.8767 54.1586 39.1023 176.3003 126 L 4.4397 7.5398 119.0233 54.8373 42.3394 176.5494 127 S 4.3545 7.6982 118.1531 58.2286 63.0455 173.7835 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 8.15 4.57 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.57 0.00 2 N 8.51 4.99 0.00 2.97 2.99 0.00 0.00 6.41 6.42 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 3 I 9.10 3.31 2.06 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.17 0.94 0.00 0.00 4 S 8.14 4.10 0.00 3.96 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 5 D 7.97 4.33 0.00 2.80 2.69 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 6 V 7.51 3.44 1.73 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 0.87 0.00 0.00 0.51 0.00 0.00 7 A 7.85 4.28 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 8 K 7.76 3.88 0.00 1.88 1.86 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.60 7.81 9 I 7.64 3.85 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.58 0.90 0.00 0.00 10 T 8.15 4.18 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 1.20 0.00 0.00 11 G 8.37 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 0.00 0.00 0.00 12 L 7.51 4.58 0.00 1.79 1.66 1.05 0.59 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 13 T 8.03 4.40 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 1.19 0.00 0.00 14 S 8.48 4.18 0.00 3.88 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 K 8.00 3.98 0.00 1.72 1.83 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.43 7.81 16 A 8.07 3.81 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 17 I 7.87 3.93 2.07 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 1.61 1.29 0.97 0.00 0.00 18 R 8.37 4.08 0.00 2.07 2.04 0.00 3.18 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.91 0.00 19 F 8.36 4.08 0.00 3.08 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 20 Y 8.19 4.25 0.00 3.30 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 21 E 8.26 3.94 0.00 2.18 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 2.32 2.34 0.00 22 E 8.34 4.00 0.00 2.00 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 2.22 2.33 0.00 23 K 7.74 4.31 0.00 1.38 1.62 0.00 1.52 0.00 0.00 0.90 0.00 0.00 3.09 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.98 1.30 7.81 24 G 8.06 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 25 L 8.20 4.29 0.00 1.88 1.75 1.14 0.83 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 26 V 7.29 4.60 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 0.71 0.00 0.00 1.09 0.00 0.00 27 T 8.95 4.03 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 1.21 0.00 0.00 28 P 0.00 4.33 0.00 2.03 1.99 0.00 3.68 0.00 0.00 3.84 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 29 P 0.00 4.42 0.00 1.45 0.93 0.00 3.88 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 1.72 1.48 0.00 30 M 8.35 4.44 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.50 0.00 31 R 8.19 5.20 0.00 1.62 1.76 0.00 3.34 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 32 S 9.06 4.50 0.00 4.01 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 0.00 33 E 8.75 3.87 0.00 1.98 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 0.00 2.32 2.29 0.00 34 N 8.06 4.42 0.00 2.51 2.56 0.00 0.00 7.00 7.65 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 35 G 8.09 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 36 Y 7.62 4.89 0.00 3.00 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 37 R 8.80 4.39 0.00 1.82 1.46 0.00 3.30 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 38 T 8.25 4.82 4.21 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 1.25 0.00 0.00 39 Y 9.36 4.74 0.00 2.77 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 40 T 8.55 4.75 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 1.27 0.00 0.00 41 Q 8.58 4.00 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 42 Q 7.84 4.05 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 43 H 8.20 4.26 0.00 3.59 3.62 0.00 5.68 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 44 L 7.76 4.00 0.00 1.87 1.72 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.43 4.24 0.00 2.96 2.61 0.00 0.00 7.06 7.60 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 46 E 8.40 3.76 0.00 2.16 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 2.49 2.73 0.00 47 L 8.19 3.82 0.00 1.70 1.68 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 48 T 7.94 3.78 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 1.14 0.00 0.00 49 L 7.84 3.77 0.00 1.54 1.53 0.68 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.84 3.75 0.00 1.73 1.37 0.76 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 51 R 7.98 3.87 0.00 1.99 2.01 0.00 3.16 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 52 Q 8.56 4.01 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 53 A 8.43 4.10 1.22 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 0.00 0.00 0.00 54 R 7.82 4.63 0.00 2.11 2.07 0.00 3.62 0.00 0.00 3.39 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.79 0.00 55 Q 8.08 4.10 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.08 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 56 V 7.23 4.25 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 1.07 0.00 0.00 0.96 0.00 0.00 57 G 7.98 3.93 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 0.00 0.00 0.00 58 F 8.23 4.43 0.00 3.23 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 59 N 9.53 5.18 0.00 3.00 3.03 0.00 0.00 6.93 6.71 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 60 L 8.53 4.04 0.00 1.82 1.91 1.17 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.29 3.96 0.00 2.07 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 2.41 2.44 0.00 62 E 9.33 4.05 0.00 2.36 2.24 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 2.44 2.74 0.00 63 S 8.73 4.11 0.00 4.01 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 64 G 8.40 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.20 4.17 0.00 2.17 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 2.33 2.60 0.00 66 L 7.84 3.88 0.00 1.66 1.51 -0.15 0.57 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 67 V 7.74 3.60 2.24 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 1.12 0.00 0.00 0.86 0.00 0.00 68 N 7.88 4.31 0.00 2.95 2.85 0.00 0.00 7.10 7.44 0.00 0.00 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 L 8.20 4.00 0.00 1.79 1.64 0.95 0.99 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 70 F 8.13 4.20 0.00 2.96 3.22 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 0.00 71 N 7.90 4.14 0.00 2.72 2.77 0.00 0.00 7.07 8.08 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 72 D 7.06 4.44 0.00 2.68 2.69 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 73 P 0.00 4.35 0.00 2.05 2.07 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 74 Q 8.15 4.23 0.00 1.95 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.23 0.00 0.00 0.00 0.00 0.00 2.03 2.23 0.00 *76 H 8.60 4.64 0.00 3.30 3.36 0.00 5.91 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.52 4.11 0.00 3.87 3.97 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 78 A 7.98 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 79 D 8.07 4.26 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 80 V 7.96 3.58 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 1.02 0.00 0.00 0.98 0.00 0.00 81 K 8.18 3.95 0.00 2.04 2.02 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.47 7.81 82 R 8.08 3.90 0.00 2.06 2.16 0.00 3.17 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 83 R 8.23 4.04 0.00 2.16 2.16 0.00 3.18 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 84 T 8.36 4.12 4.47 0.00 0.00 0.00 0.00 0.00 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 85 L 8.42 4.07 0.00 1.68 1.73 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.31 3.97 0.00 2.26 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 2.32 2.48 0.00 87 K 8.00 3.79 0.00 1.60 1.75 0.00 0.61 0.00 0.00 0.99 0.00 0.00 2.78 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.77 1.14 7.81 88 V 7.77 3.49 2.27 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 1.03 0.00 0.00 0.95 0.00 0.00 89 A 8.05 4.11 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 90 E 8.26 3.84 0.00 2.15 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 0.00 2.26 2.32 0.00 91 I 7.97 3.77 1.96 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 1.47 0.56 0.89 0.00 0.00 92 E 8.53 4.06 0.00 2.12 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 2.32 2.64 0.00 93 R 8.01 3.92 0.00 2.05 1.98 0.00 3.12 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 94 H 8.08 4.22 0.00 3.36 3.46 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.17 3.64 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.60 0.89 0.00 0.00 96 E 8.37 3.90 0.00 2.11 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 2.31 2.31 0.00 97 E 8.42 3.93 0.00 2.08 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 0.00 2.34 2.36 0.00 98 L 8.10 3.99 0.00 1.83 1.67 0.75 0.81 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 99 Q 8.27 4.00 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 100 S 8.26 4.06 0.00 3.95 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 0.00 101 M 8.18 4.33 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.41 0.00 102 R 8.36 3.87 0.00 1.89 2.14 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 103 D 8.32 4.38 0.00 2.88 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 0.00 104 Q 8.27 4.02 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 105 L 8.08 4.10 0.00 1.85 1.71 0.92 0.51 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 0.00 106 L 8.21 4.05 0.00 1.69 1.71 0.92 0.76 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 0.00 107 A 8.12 4.00 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 0.00 108 L 7.99 3.94 0.00 1.88 1.73 0.92 1.15 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 0.00 109 A 8.17 4.01 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 0.00 110 N 8.06 4.37 0.00 2.80 3.00 0.00 0.00 7.24 8.12 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 0.00 111 A 7.55 4.17 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 0.00 112 C 7.45 4.21 0.00 3.13 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 0.00 113 P 0.00 4.42 0.00 2.22 2.10 0.00 3.88 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.08 0.00 114 G 7.47 4.09 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 0.00 0.00 0.00 115 D 7.80 4.83 0.00 2.73 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 0.00 116 D 8.74 4.75 0.00 2.80 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 0.00 117 S 8.26 4.45 0.00 3.99 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 0.00 118 A 8.42 4.04 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 0.00 119 D 7.32 4.28 0.00 2.67 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 0.00 120 C 8.41 4.59 0.00 2.92 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 0.00 121 P 0.00 4.31 0.00 2.19 2.08 0.00 3.65 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 2.28 2.17 0.00 122 I 7.64 3.69 1.87 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 1.64 0.94 0.91 0.00 0.00 123 I 7.64 3.69 1.87 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 1.52 1.52 0.91 0.00 0.00 124 E 8.05 3.95 0.00 2.04 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 2.32 2.36 0.00 125 N 8.10 4.63 0.00 2.89 2.84 0.00 0.00 7.02 7.15 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 0.00 126 L 7.54 4.44 0.00 1.70 1.71 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 127 S 7.70 4.35 0.00 3.92 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 * Residues marked with a * may have inaccurate shift predictions.