NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4781 8.3349 115.4171 58.0555 65.0948 173.9118 3 N 4.7760 8.0173 120.5200 53.0611 39.7547 171.9624 4 T 4.7702 9.1228 118.5792 62.9273 72.6644 173.1719 5 L 4.8091 8.0592 118.4015 54.0739 44.0421 176.6817 6 F 4.5882 7.7944 117.5656 57.6881 42.4228 171.9020 7 D 5.1064 8.0895 126.2767 52.3541 43.5279 175.2956 8 D 4.1644 7.6421 117.6300 54.9164 46.8128 174.8313 9 I 4.9373 7.1437 119.5535 60.8831 41.1477 174.6740 10 F 5.5184 9.6122 126.6777 55.1623 42.7937 174.1448 11 Q 5.2936 8.4195 119.1593 53.3768 31.9558 174.5089 12 V 4.4434 8.7575 127.5774 63.2068 29.5621 175.7536 13 S 4.1254 8.7775 120.6201 61.0195 63.6327 175.0071 14 E 4.7103 7.8762 117.4074 54.9830 32.6400 174.3470 15 V 4.5487 8.4701 126.0212 61.5290 33.9271 174.3759 16 D 4.7495 8.8446 125.5995 51.9106 44.4058 172.7379 17 P 5.3331 0.0000 0.0000 61.0124 30.2959 175.5938 18 G 3.6657 7.7916 115.0809 45.7313 0.0000 171.0680 19 R 3.9660 8.0973 120.9568 57.9442 27.6882 176.8256 20 Y 4.9560 7.6253 116.9057 55.6613 37.9507 176.1246 21 N 4.5371 8.6669 120.2048 55.2957 39.3809 175.7438 22 K 4.7349 8.2075 114.5203 55.8278 35.8046 175.8654 23 V 4.9287 7.6873 118.9079 61.8709 34.6433 172.9937 24 C 5.1636 9.2207 123.9644 57.9490 32.5951 172.9175 25 R 4.7444 8.7751 123.0774 55.7827 31.1273 175.3699 26 I 5.1011 9.1114 126.5057 59.6452 41.7501 174.3331 27 E 5.1776 8.7461 121.5431 55.0574 33.6033 174.7904 28 A 5.8205 9.2993 124.8459 49.0696 23.5473 174.0614 29 A 5.3526 8.5159 119.2095 50.1198 23.0591 175.2046 30 S 4.1018 8.7227 114.4302 57.1643 63.2330 175.0855 31 T 4.4788 7.2462 123.8891 62.4715 68.5445 174.2999 32 T 4.5673 7.3429 118.4942 64.2742 76.4400 175.5792 33 Q 4.2382 8.6818 123.2774 56.4000 30.4170 176.1800 34 D 4.8394 8.6657 120.9471 54.7725 41.1806 176.8864 35 Q 4.2483 7.6013 118.1297 57.7515 29.9851 175.0379 36 C 4.9160 8.0010 120.7972 59.8535 32.1593 172.6952 37 K 5.0377 8.4690 124.9200 54.9238 34.9225 175.3704 38 L 5.2979 8.5125 121.5221 54.7494 45.9838 174.2993 39 T 5.0488 8.0668 120.3744 61.9525 73.1250 172.6897 40 L 4.7440 9.1830 126.2784 54.1810 46.2542 173.5437 41 D 5.0074 8.5956 127.1777 54.4260 41.5778 176.0626 42 I 4.7024 9.3515 124.2128 59.2518 42.0793 173.6403 43 N 4.5639 10.2322 125.9338 54.1105 39.2304 174.4358 44 V 4.4196 8.0479 124.2011 62.8093 31.5641 175.9814 45 E 4.4940 8.4359 119.9751 56.9412 31.2372 176.8783 46 L 4.2440 9.3574 118.4797 56.4345 42.0679 177.0782 47 F 4.7860 7.6720 120.0079 55.9495 40.2424 171.7415 48 P 4.1946 0.0000 0.0000 62.4710 31.8711 176.8012 49 V 3.9011 7.7511 119.3304 61.9293 33.1535 173.7535 50 A 4.4810 8.2429 130.1231 50.1587 20.3447 176.3578 51 A 3.8787 8.4483 122.8012 53.7975 18.6978 174.5673 52 Q 3.5104 9.5201 128.8541 56.1794 27.8673 172.7909 53 D 4.6970 7.9941 120.1582 52.5060 45.3171 176.2405 54 S 4.9126 8.3177 117.3023 58.0547 60.7324 173.9059 55 L 4.4110 8.2301 122.9215 55.4645 43.2409 178.0006 56 T 4.8006 8.5490 121.7994 63.1218 69.1352 174.0838 57 V 4.9956 8.8284 124.7179 61.6325 34.8066 174.4438 58 T 5.9445 8.8373 122.8728 61.2814 73.1738 172.7953 59 I 5.1634 8.4164 121.1633 59.1171 41.1542 175.1511 60 A 3.9708 9.3775 121.8760 52.6514 17.3098 177.6690 61 S 5.0408 7.9549 112.8921 57.5051 63.8123 173.2649 62 S 4.3946 8.0943 119.5801 59.9626 66.8728 176.2696 63 L 3.3763 7.7096 117.6925 56.4523 40.3499 178.0274 *76 T 4.1105 7.3324 113.6719 64.1488 69.9869 172.8852 77 R 3.6296 7.8772 123.5568 55.3235 30.2302 176.7844 78 S 4.1833 8.3498 114.5246 57.9918 63.4991 173.2730 79 W 4.7383 8.6472 129.7642 55.6061 31.9111 175.4148 80 R 4.2288 7.8029 124.5221 54.4322 31.6445 177.4992 81 P 4.3199 0.0000 0.0000 60.9783 31.2479 174.8452 82 P 4.0143 0.0000 0.0000 62.6496 30.9296 177.8453 83 Q 3.6719 9.1874 120.4439 56.9683 28.3474 175.9601 84 A 4.0898 7.9283 114.5671 53.1764 18.2458 178.3895 85 G 3.7372 8.5618 109.5691 48.8033 0.0000 174.6018 86 D 4.9082 7.5004 118.2790 51.3755 40.6255 173.9039 87 R 4.4989 7.2428 118.9379 54.9133 34.6433 175.1045 88 S 4.3268 8.3025 113.5241 59.2527 63.7818 174.9357 89 L 4.6378 7.9338 119.5470 53.9640 42.9096 177.8463 90 A 4.4571 7.7263 118.2985 52.2276 18.0180 177.4911 91 D 5.0904 9.6285 117.0639 55.3127 40.1684 177.6031 92 D 4.7045 8.3012 118.1290 55.4283 40.1562 175.2125 93 Y 4.7552 7.7497 116.3371 57.2819 41.8342 175.2392 94 D 4.9535 9.2275 121.9264 54.2179 42.8963 175.7770 95 Y 4.2939 7.3815 114.9262 57.1861 41.6321 172.7039 96 V 5.2552 8.6599 127.3528 60.6209 33.6762 174.5191 97 M 4.7160 8.2913 128.0129 54.4255 35.0243 174.2609 98 Y 5.3338 8.4290 119.1581 56.9764 41.9813 172.8718 99 G 3.7942 8.4331 115.3152 46.2408 0.0000 172.4118 100 T 5.5170 9.0772 119.6130 60.9692 73.5994 172.7262 101 A 4.4575 8.0357 124.8616 50.5481 20.0848 176.4249 102 Y 4.4936 8.8089 119.7175 57.5207 39.7650 175.9144 103 K 4.6985 7.2999 119.3864 53.7734 36.1955 175.4766 104 F 4.9758 8.2940 120.5125 55.8939 38.0393 175.0618 105 E 3.9696 8.2369 121.3500 56.7436 31.3123 176.2206 106 E 4.5079 8.5267 127.3871 54.2543 28.9528 174.4124 107 V 3.8480 8.5044 121.2977 63.0431 30.7013 175.7702 108 S 3.2814 9.5504 117.1372 59.7524 63.9612 173.7766 109 K 3.7979 8.2554 119.9048 57.4931 30.6089 176.3302 110 D 4.8081 8.4850 115.3368 53.0737 38.2073 176.7252 111 L 5.2324 7.7038 121.2936 52.4909 43.6740 175.6207 112 I 4.5243 8.0030 123.5375 60.1766 39.2226 174.5127 113 A 5.2425 8.6666 127.8194 49.2679 21.1997 176.0069 114 V 3.9123 7.9360 115.3430 61.5894 33.7539 174.9662 115 Y 4.9920 8.6886 121.7130 56.6123 40.0159 174.4920 116 Y 5.0280 9.2267 121.2393 56.3117 42.2968 174.8375 117 S 4.8998 9.3850 117.3907 57.0671 65.8478 172.7699 118 F 4.3656 10.6587 127.6155 56.3605 39.2435 177.4269 119 G 3.9568 8.7379 116.5602 46.7179 0.0000 172.3575 120 G 4.1903 9.2392 109.1359 44.8439 0.0000 172.5873 121 L 4.7244 7.2577 121.2935 53.3491 43.9762 176.7148 122 L 5.6448 9.2021 124.3729 54.2844 44.5914 174.9373 123 M 4.6864 8.1245 115.1441 55.5034 35.6171 173.7401 124 R 4.6211 8.7436 125.0221 54.5006 33.4765 173.6114 125 L 4.9010 8.2893 127.9415 53.5018 45.4954 174.4330 126 E 4.9390 7.9749 122.2439 54.8870 33.6847 176.0831 127 G 4.5097 8.3702 116.9534 45.5250 0.0000 173.6017 128 N 5.5147 7.6804 133.7093 54.3045 41.2394 173.1181 129 Y 4.9097 6.8425 111.3259 56.7808 40.5615 175.8936 130 R 4.7070 7.4795 120.3989 55.8726 29.8285 177.2741 131 N 4.5127 8.1849 116.9859 55.8194 39.2019 176.7881 132 L 4.6903 7.9384 113.7488 54.4570 42.1831 176.4044 133 N 4.5696 6.9484 114.6938 54.5542 39.3981 175.2748 134 N 4.6437 8.0133 126.3216 53.9476 37.5285 174.9726 135 L 4.3135 8.1605 122.8739 54.6373 42.5538 177.1739 136 K 4.4662 8.2956 118.3263 56.4050 32.0480 176.9780 137 Q 4.2483 7.7593 118.6143 55.4037 29.5066 176.0694 138 E 3.9262 8.6344 119.2636 59.2442 29.9507 176.5080 139 N 5.0408 8.1256 114.6244 52.2288 39.1270 173.2550 140 A 4.6422 8.1402 127.5534 52.2527 18.7479 174.9543 141 Y 4.7675 8.8651 120.9373 58.2547 39.4610 174.9944 142 L 4.6087 8.8682 126.1790 54.3699 44.4146 175.2009 143 L 5.0421 8.1244 121.9274 53.3080 46.2526 175.3525 144 I 5.9667 8.8060 122.5180 59.2628 41.7394 174.3645 145 R 4.6443 8.2934 121.1477 55.3337 33.6187 175.4691 146 R 4.2926 8.3361 116.8628 56.9332 30.6123 176.4329 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 2 S 8.33 4.48 0.00 4.00 4.03 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 0.00 0.00 0.00 0.00 3 N 8.02 4.78 0.00 2.85 2.80 0.00 0.00 6.92 6.65 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 4 T 9.12 4.77 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 1.32 0.00 0.00 5 L 8.06 4.81 0.00 1.76 1.76 1.04 0.88 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 6 F 7.79 4.59 0.00 3.12 2.92 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 7 D 8.09 5.11 0.00 2.45 2.40 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 8 D 7.64 4.16 0.00 2.21 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 9 I 7.14 4.94 1.83 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 1.38 0.80 0.98 0.00 0.00 10 F 9.61 5.52 0.00 2.94 3.20 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 11 Q 8.42 5.29 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 7.11 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 12 V 8.76 4.44 2.21 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 0.95 0.00 0.00 0.98 0.00 0.00 13 S 8.78 4.13 0.00 3.95 4.03 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 0.00 0.00 0.00 0.00 14 E 7.88 4.71 0.00 2.02 1.76 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 2.23 2.25 0.00 15 V 8.47 4.55 2.08 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 0.83 0.00 0.00 0.97 0.00 0.00 16 D 8.84 4.75 0.00 2.80 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 17 P 0.00 5.33 0.00 2.09 2.04 0.00 3.81 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 1.86 1.93 0.00 18 G 7.79 3.67 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 0.00 0.00 0.00 19 R 8.10 3.97 0.00 1.92 2.15 0.00 3.34 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 20 Y 7.63 4.96 0.00 2.97 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 21 N 8.67 4.54 0.00 2.73 2.91 0.00 0.00 6.96 7.61 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 22 K 8.21 4.73 0.00 1.65 1.73 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.36 7.81 23 V 7.69 4.93 2.08 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 0.87 0.00 0.00 0.96 0.00 0.00 24 C 9.22 5.16 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 25 R 8.78 4.74 0.00 2.16 1.81 0.00 3.05 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 26 I 9.11 5.10 1.97 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.92 0.90 0.00 0.00 27 E 8.75 5.18 0.00 1.84 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 2.20 2.24 0.00 28 A 9.30 5.82 1.32 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 0.00 0.00 29 A 8.52 5.35 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 30 S 8.72 4.10 0.00 3.64 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 31 T 7.25 4.48 4.15 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 0.00 0.00 0.00 1.17 0.00 0.00 32 T 7.34 4.57 4.13 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 0.00 0.00 0.00 1.08 0.00 0.00 33 Q 8.68 4.24 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 7.04 0.00 0.00 0.00 0.00 0.00 2.76 2.46 0.00 34 D 8.67 4.84 0.00 2.67 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 35 Q 7.60 4.25 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.00 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 36 C 8.00 4.92 0.00 3.19 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 37 K 8.47 5.04 0.00 1.65 1.72 0.00 2.02 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.74 7.81 38 L 8.51 5.30 0.00 1.40 1.28 0.67 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.07 5.05 4.17 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 1.25 0.00 0.00 40 L 9.18 4.74 0.00 1.52 1.33 0.88 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.60 5.01 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 42 I 9.35 4.70 1.92 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.51 1.31 0.00 0.00 43 N 10.23 4.56 0.00 2.84 2.77 0.00 0.00 6.59 7.46 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 44 V 8.05 4.42 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 0.77 0.00 0.00 1.09 0.00 0.00 45 E 8.44 4.49 0.00 1.94 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 2.18 2.28 0.00 46 L 9.36 4.24 0.00 1.52 1.55 0.82 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.67 4.79 0.00 2.75 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 48 P 0.00 4.19 0.00 1.90 1.88 0.00 3.56 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.02 0.00 49 V 7.75 3.90 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 0.75 0.00 0.00 0.76 0.00 0.00 50 A 8.24 4.48 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 51 A 8.45 3.88 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 52 Q 9.52 3.51 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.56 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 53 D 7.99 4.70 0.00 2.60 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 54 S 8.32 4.91 0.00 3.91 3.95 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 55 L 8.23 4.41 0.00 1.71 1.76 1.08 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.55 4.80 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 1.39 0.00 0.00 57 V 8.83 5.00 2.44 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 0.85 0.00 0.00 1.00 0.00 0.00 58 T 8.84 5.94 4.11 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 0.00 0.00 0.00 1.35 0.00 0.00 59 I 8.42 5.16 1.99 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 1.11 1.23 0.97 0.00 0.00 60 A 9.38 3.97 1.49 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 0.00 0.00 61 S 7.95 5.04 0.00 4.09 4.03 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 0.00 0.00 0.00 0.00 62 S 8.09 4.39 0.00 3.79 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 63 L 7.71 3.38 0.00 1.64 1.55 0.90 0.76 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 *76 T 7.33 4.11 4.36 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 1.29 0.00 0.00 77 R 7.88 3.63 0.00 1.98 1.94 0.00 3.28 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 78 S 8.35 4.18 0.00 4.08 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 79 W 8.65 4.74 0.00 3.30 3.20 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 80 R 7.80 4.23 0.00 1.54 1.60 0.00 3.18 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 1.51 1.54 0.00 81 P 0.00 4.32 0.00 1.92 1.62 0.00 3.49 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 82 P 0.00 4.01 0.00 2.14 1.91 0.00 3.84 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 1.93 1.96 0.00 83 Q 9.19 3.67 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.09 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 84 A 7.93 4.09 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 85 G 8.56 3.74 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 0.00 0.00 0.00 86 D 7.50 4.91 0.00 2.62 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.24 4.50 0.00 1.77 1.78 0.00 3.25 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 88 S 8.30 4.33 0.00 3.95 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 89 L 7.93 4.64 0.00 1.68 1.91 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.73 4.46 1.24 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 91 D 9.63 5.09 0.00 2.88 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.30 4.70 0.00 2.44 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.75 4.76 0.00 2.78 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 94 D 9.23 4.95 0.00 2.26 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 95 Y 7.38 4.29 0.00 2.26 2.29 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 96 V 8.66 5.26 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 0.86 0.00 0.00 0.97 0.00 0.00 97 M 8.29 4.72 0.00 1.93 1.44 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.77 0.00 98 Y 8.43 5.33 0.00 2.67 2.64 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 0.00 0.00 0.00 0.00 99 G 8.43 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 0.00 100 T 9.08 5.52 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 1.07 0.00 0.00 101 A 8.04 4.46 0.35 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 0.00 0.00 0.00 102 Y 8.81 4.49 0.00 3.07 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 0.00 103 K 7.30 4.70 0.00 1.51 1.34 0.00 1.45 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.36 7.81 104 F 8.29 4.98 0.00 2.79 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 0.00 105 E 8.24 3.97 0.00 2.17 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 2.44 2.36 0.00 106 E 8.53 4.51 0.00 2.02 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 2.21 2.31 0.00 107 V 8.50 3.85 2.08 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 0.82 0.00 0.00 1.05 0.00 0.00 108 S 9.55 3.28 0.00 4.12 4.03 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 0.00 0.00 0.00 0.00 109 K 8.26 3.80 0.00 1.94 1.82 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.42 7.81 110 D 8.49 4.81 0.00 2.79 2.71 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 0.00 111 L 7.70 5.23 0.00 2.18 1.59 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.00 4.52 1.83 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 1.30 1.03 0.92 0.00 0.00 113 A 8.67 5.24 1.09 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 0.00 114 V 7.94 3.91 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 -0.83 0.00 0.00 0.66 0.00 0.00 115 Y 8.69 4.99 0.00 2.24 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 0.00 0.00 0.00 116 Y 9.23 5.03 0.00 2.95 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 0.00 117 S 9.39 4.90 0.00 3.30 3.25 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 0.00 118 F 10.66 4.37 0.00 3.13 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 0.00 119 G 8.74 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 0.00 0.00 0.00 120 G 9.24 4.19 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 0.00 121 L 7.26 4.72 0.00 1.81 1.71 1.02 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 122 L 9.20 5.64 0.00 1.84 1.87 1.09 0.83 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 0.00 123 M 8.12 4.69 0.00 2.37 2.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.34 0.00 124 R 8.74 4.62 0.00 1.52 1.48 0.00 2.83 0.00 0.00 2.90 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.00 125 L 8.29 4.90 0.00 1.43 1.12 0.59 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 126 E 7.97 4.94 0.00 1.94 1.76 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 2.25 2.24 0.00 127 G 8.37 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 N 7.68 5.51 0.00 2.90 2.96 0.00 0.00 6.61 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 0.00 129 Y 6.84 4.91 0.00 3.07 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 0.00 130 R 7.48 4.71 0.00 1.94 2.11 0.00 3.00 0.00 0.00 3.10 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 131 N 8.18 4.51 0.00 2.78 2.94 0.00 0.00 7.03 7.85 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 0.00 132 L 7.94 4.69 0.00 1.65 1.70 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 133 N 6.95 4.57 0.00 2.87 2.82 0.00 0.00 6.84 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 0.00 134 N 8.01 4.64 0.00 2.70 2.85 0.00 0.00 6.96 7.78 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 0.00 135 L 8.16 4.31 0.00 1.79 1.66 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.30 4.47 0.00 1.45 1.16 0.00 1.45 0.00 0.00 1.07 0.00 0.00 2.71 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.30 1.17 7.81 137 Q 7.76 4.25 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.07 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 138 E 8.63 3.93 0.00 1.96 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 0.00 2.42 2.22 0.00 139 N 8.13 5.04 0.00 2.88 2.89 0.00 0.00 7.23 7.35 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 0.00 140 A 8.14 4.64 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 0.00 0.00 0.00 0.00 0.00 141 Y 8.87 4.77 0.00 2.85 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 0.00 142 L 8.87 4.61 0.00 1.43 1.08 0.75 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.12 5.04 0.00 0.79 0.13 0.80 0.56 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 0.00 144 I 8.81 5.97 1.57 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.05 0.88 0.00 0.00 145 R 8.29 4.64 0.00 1.76 1.91 0.00 2.82 0.00 0.00 2.78 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 146 R 8.34 4.29 0.00 2.25 2.06 0.00 3.21 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.