NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.2820 8.1727 122.0365 55.8364 34.9634 174.6937 6 S 4.6996 7.7905 113.4449 56.1873 65.1749 172.9860 7 C 4.5073 8.4150 124.7785 55.4861 41.3921 171.2172 8 P 4.6967 0.0000 0.0000 62.3075 31.1398 176.0370 9 N 4.4275 8.9637 118.0427 53.4697 39.0072 174.1429 10 P 4.1804 0.0000 0.0000 64.4989 32.2207 176.1869 11 G 3.9070 8.4646 103.0637 43.9642 0.0000 172.2221 12 A 4.5694 8.0006 123.2102 50.6080 22.5249 175.4699 13 I 4.1678 7.9961 121.1374 58.9406 38.7410 175.3627 14 A 4.1317 8.4287 129.2289 53.2993 18.6465 176.4188 15 N 4.0037 8.9142 119.3612 53.8784 35.8995 173.6041 16 G 4.5244 7.7915 104.6821 44.8364 0.0000 172.2844 17 Q 4.7734 9.2884 117.2285 54.0984 33.3932 174.7117 18 I 5.0590 8.4198 122.5634 59.7908 39.8214 174.4746 19 D 4.7697 9.2298 127.6990 52.8141 42.9203 175.9170 20 V 4.6423 8.1962 123.1528 60.1141 31.3222 172.9401 21 P 4.3823 0.0000 0.0000 64.7805 32.2205 177.8206 22 G 4.0588 7.5594 105.2524 44.1511 0.0000 172.0435 23 G 3.9923 7.9919 107.8989 44.8367 0.0000 172.1285 24 I 4.8270 7.8319 110.4521 60.5630 38.3381 175.5185 25 L 4.5471 7.8083 120.6855 54.2886 42.5874 176.0106 26 F 4.0187 8.4756 122.5279 60.4203 39.3102 175.6949 27 G 3.2963 7.8682 116.0053 44.7193 0.0000 173.1143 28 A 4.5723 7.3312 121.6278 51.3406 20.7503 176.5145 29 T 5.4367 8.4823 115.2753 61.7591 71.9929 173.6438 30 I 4.7090 8.7047 117.6228 59.2093 41.3266 174.4028 31 S 4.5192 8.4698 118.4715 56.6143 66.7672 173.0630 32 F 5.7076 8.2115 120.0898 56.2038 42.4605 174.5094 33 S 4.7358 8.8027 113.9237 57.7622 66.5976 172.2564 34 C 5.2375 8.5080 117.4501 55.0383 41.0943 173.7326 35 N 4.7287 8.7994 118.7937 53.0191 39.6949 175.0840 36 T 3.9261 8.3920 117.7057 65.5892 68.9541 174.9360 37 G 3.8372 9.1434 113.8553 44.9340 0.0000 172.0578 38 Y 5.0033 7.6349 116.0582 55.8424 41.6838 174.7684 39 K 4.5949 9.1107 123.3448 54.5047 35.0753 174.6982 40 L 4.7453 8.5185 128.7652 54.5178 43.2119 175.4859 41 A 4.4439 9.5786 128.2437 52.5304 21.2686 172.9592 42 G 3.9095 8.8663 110.7465 44.9211 0.0000 173.1892 43 S 4.4296 8.5717 119.3367 59.0186 63.7504 173.9616 44 T 4.7550 8.3537 112.0885 62.3929 70.4722 173.7030 45 S 4.2120 7.8483 114.8484 57.7653 65.9176 173.8030 46 S 4.8833 8.7508 114.1022 56.8640 66.2101 172.1183 47 F 5.4600 9.5664 128.5248 56.5993 42.3387 173.6060 48 C 4.4725 8.3512 126.9549 55.7155 43.0980 171.8799 49 L 5.0380 8.5224 127.5523 53.9585 44.0063 174.6722 50 I 4.9533 8.5769 118.6662 59.7309 39.6237 175.8075 51 S 4.4656 9.0616 121.0385 57.2760 65.4541 173.7314 52 G 3.8019 8.3586 118.7267 47.4271 0.0000 174.1684 53 S 4.5602 8.7936 120.5717 58.0078 63.4015 173.6421 54 S 4.4923 8.0616 118.2862 57.2792 63.8331 173.1644 55 V 4.7477 8.1050 124.4752 61.4360 32.4725 174.4780 56 Q 4.4618 8.9095 125.5927 54.2569 32.7463 173.7980 57 W 4.7585 8.5074 119.9512 56.5969 29.2104 177.0140 58 S 4.4836 9.6630 120.4548 60.9728 62.9634 174.3679 59 D 5.2983 8.3736 118.5644 51.3387 43.7603 174.6914 60 P 4.5700 0.0000 0.0000 61.7245 32.5653 176.1209 61 L 3.2355 7.9786 119.7216 54.2103 41.9299 175.6268 62 P 4.5821 0.0000 0.0000 62.4002 33.3278 174.5779 63 E 4.6703 8.9286 118.4700 54.7932 32.6563 175.3188 64 C 5.3654 8.6706 119.9438 55.5324 38.1998 173.3768 65 R 4.6695 8.8218 124.0861 54.4468 31.8289 176.0989 66 E 3.4709 8.6133 124.0782 56.2606 30.9691 175.3974 67 I 4.1218 7.9682 128.0188 60.7001 38.6569 174.3842 68 Y 5.2023 8.2689 124.2161 56.5172 40.7375 176.0072 69 C 4.7363 8.8390 120.5723 55.2486 41.6445 171.8380 70 P 4.6036 0.0000 0.0000 61.8367 31.9196 175.8985 71 A 4.2895 8.5925 121.7476 51.9159 18.6129 175.9935 72 P 3.8811 0.0000 0.0000 61.3231 32.1213 174.5418 73 P 4.3780 0.0000 0.0000 62.7513 32.0547 176.0591 74 Q 4.5842 8.2740 119.3197 54.9004 30.0420 175.1364 75 I 4.5958 7.7309 111.6964 58.6779 40.5760 174.7118 76 D 4.3322 8.4929 122.3524 55.7884 41.2579 175.8435 77 N 3.8228 8.8121 118.6892 53.5262 35.9373 173.8615 78 G 4.4495 7.3893 104.0546 44.5033 0.0000 172.4622 79 I 4.7674 8.7528 112.1987 59.1944 41.5740 174.0375 80 I 4.2199 8.0725 123.5799 60.1798 38.2625 177.1109 81 Q 3.9821 8.6058 127.5799 55.1750 26.7324 172.3267 82 G 3.5417 8.3578 111.8652 45.2303 0.0000 169.6152 83 E 4.2617 8.1169 125.0869 55.8324 30.7230 176.4942 84 R 4.3451 7.9773 124.4138 54.8038 31.6122 176.6774 85 D 4.3655 8.2643 119.8168 57.0267 41.1401 176.8432 86 H 4.8102 7.4629 114.0090 53.9717 32.7363 172.6156 87 Y 4.8563 8.8749 119.6335 56.3486 41.0405 175.2766 88 G 4.8231 9.6893 111.4441 42.6408 0.0000 171.5829 89 Y 4.6610 8.3556 119.9472 59.6127 38.7277 176.9120 90 R 3.9008 8.1734 124.7579 56.2183 29.5009 176.5839 91 Q 4.6085 7.8578 117.5053 55.6402 30.1953 175.0629 92 S 5.1877 8.5534 115.1379 56.7848 66.9636 173.1757 93 V 4.3634 8.2760 112.6639 59.6971 34.7947 175.0113 94 T 4.8016 8.1346 120.7763 61.9793 71.1484 173.0243 95 Y 5.1275 8.4451 123.4488 56.6653 40.4775 175.0343 96 A 4.8226 8.8006 121.9512 50.7556 22.8925 175.0186 97 C 4.9994 8.7935 118.3745 56.0670 42.0848 173.3997 98 N 4.7383 8.8188 119.6415 52.0808 40.0743 174.6157 99 K 4.0189 8.6067 121.0056 58.7153 32.2744 176.7764 100 G 3.9413 9.2954 114.6040 44.7513 0.0000 172.6991 101 F 5.0931 8.0628 118.0548 55.7377 41.7492 174.9357 102 T 4.6658 8.9337 113.2625 60.1209 71.0707 173.5051 103 M 4.8033 8.6257 124.6155 55.5835 33.5710 175.2822 104 I 4.4027 9.2603 125.8684 61.2846 40.9200 174.5482 105 G 3.6625 9.1317 112.6204 43.7663 0.0000 172.2207 106 E 4.0040 8.5532 117.8581 57.1748 30.0495 177.1663 107 H 4.5299 9.0428 123.2219 58.5481 30.4397 174.8671 108 S 5.2840 7.8861 112.7894 56.5125 66.6929 173.6368 109 I 4.8897 8.3472 115.5662 59.4281 41.0530 173.8260 110 Y 5.3637 9.2711 120.8272 56.3460 41.9392 174.0753 111 C 4.2684 9.2399 123.7818 56.2858 40.4906 172.7205 112 T 5.1831 8.9958 116.5905 60.0324 72.2290 172.9041 113 V 4.7910 8.3212 113.9370 59.5155 34.3618 175.4450 114 N 4.5772 8.9947 123.4297 52.2268 40.8076 173.5199 115 N 4.1992 9.4204 126.8200 55.1664 36.9905 173.4194 116 D 4.3830 8.0791 110.4700 55.0044 39.3115 173.9888 117 A 4.7012 7.5805 121.0323 49.8844 21.9638 176.4283 118 G 4.0035 8.4247 108.5492 45.5042 0.0000 172.7791 119 E 4.7491 9.2258 125.3137 53.8948 32.1444 174.5905 120 W 4.7194 8.7633 126.7572 56.6025 29.8687 177.3310 121 S 4.4088 9.6281 119.6921 61.8795 63.0948 173.8354 122 G 4.2842 7.3924 102.7954 45.1056 0.0000 171.4452 123 P 4.6416 0.0000 0.0000 61.2457 32.3217 174.1446 124 P 4.1582 0.0000 0.0000 61.4596 32.0312 173.8261 125 P 4.5838 0.0000 0.0000 62.4768 32.8979 174.5608 126 E 4.6562 9.3131 120.2173 54.4953 32.8773 174.0342 127 C 5.4579 8.9067 124.7025 56.2295 39.3509 174.0748 *128 R 4.5959 8.9055 124.6127 54.7434 32.7993 173.5871 *129 G 3.7063 8.4427 106.6500 46.5725 0.0000 172.9734 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 5 K 8.17 4.28 0.00 1.77 1.84 0.00 1.64 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.37 7.81 6 S 7.79 4.70 0.00 3.91 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 7 C 8.41 4.51 0.00 2.12 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 8 P 0.00 4.70 0.00 2.20 2.11 0.00 3.50 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 2.32 2.10 0.00 9 N 8.96 4.43 0.00 2.86 2.87 0.00 0.00 6.84 8.03 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 10 P 0.00 4.18 0.00 1.95 1.86 0.00 3.69 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 11 G 8.46 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 A 8.00 4.57 1.14 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 0.00 0.00 0.00 0.00 0.00 13 I 8.00 4.17 1.76 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 1.07 0.53 0.83 0.00 0.00 14 A 8.43 4.13 1.16 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 0.00 0.00 15 N 8.91 4.00 0.00 2.27 1.42 0.00 0.00 6.75 7.58 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 16 G 7.79 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.29 4.77 0.00 1.87 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 18 I 8.42 5.06 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.62 0.96 0.00 0.00 19 D 9.23 4.77 0.00 2.45 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.20 4.64 2.09 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 0.91 0.00 0.00 0.91 0.00 0.00 21 P 0.00 4.38 0.00 2.07 2.09 0.00 3.85 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 2.05 0.00 22 G 7.56 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 0.00 0.00 0.00 0.00 23 G 7.99 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 0.00 0.00 0.00 24 I 7.83 4.83 2.35 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.39 1.18 0.00 0.00 25 L 7.81 4.55 0.00 1.71 1.73 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.48 4.02 0.00 2.73 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 27 G 7.87 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 0.00 0.00 0.00 28 A 7.33 4.57 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 29 T 8.48 5.44 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 1.23 0.00 0.00 30 I 8.70 4.71 1.68 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.17 0.84 0.00 0.00 31 S 8.47 4.52 0.00 3.58 3.55 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 32 F 8.21 5.71 0.00 2.89 2.77 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 33 S 8.80 4.74 0.00 3.89 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 34 C 8.51 5.24 0.00 2.87 3.06 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 0.00 35 N 8.80 4.73 0.00 2.62 2.75 0.00 0.00 7.26 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 36 T 8.39 3.93 4.26 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 0.71 0.00 0.00 37 G 9.14 3.84 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 0.00 0.00 0.00 38 Y 7.63 5.00 0.00 2.90 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 39 K 9.11 4.59 0.00 1.70 1.59 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.32 7.81 40 L 8.52 4.75 0.00 1.71 1.56 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 41 A 9.58 4.44 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 42 G 8.87 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 43 S 8.57 4.43 0.00 4.13 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 0.00 44 T 8.35 4.76 4.26 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 1.25 0.00 0.00 45 S 7.85 4.21 0.00 3.81 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 46 S 8.75 4.88 0.00 4.19 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 47 F 9.57 5.46 0.00 3.15 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 48 C 8.35 4.47 0.00 1.90 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.52 5.04 0.00 1.98 2.08 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.58 4.95 1.87 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.42 0.87 0.00 0.00 51 S 9.06 4.47 0.00 3.77 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.36 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.79 4.56 0.00 3.84 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 54 S 8.06 4.49 0.00 4.04 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 55 V 8.10 4.75 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 0.70 0.00 0.00 0.80 0.00 0.00 56 Q 8.91 4.46 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 57 W 8.51 4.76 0.00 3.28 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 58 S 9.66 4.48 0.00 4.00 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 0.00 59 D 8.37 5.30 0.00 2.82 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 60 P 0.00 4.57 0.00 2.14 2.06 0.00 3.82 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 1.97 1.99 0.00 61 L 7.98 3.24 0.00 1.40 1.21 0.83 0.44 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 62 P 0.00 4.58 0.00 2.00 2.30 0.00 2.56 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.97 0.00 63 E 8.93 4.67 0.00 1.87 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 2.17 2.19 0.00 64 C 8.67 5.37 0.00 2.91 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 65 R 8.82 4.67 0.00 1.74 1.80 0.00 3.13 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 66 E 8.61 3.47 0.00 1.73 1.16 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 1.47 1.57 0.00 67 I 7.97 4.12 1.71 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.86 0.78 0.00 0.00 68 Y 8.27 5.20 0.00 2.89 2.77 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 69 C 8.84 4.74 0.00 2.26 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 0.00 0.00 0.00 70 P 0.00 4.60 0.00 2.34 2.17 0.00 3.65 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 2.35 2.10 0.00 71 A 8.59 4.29 1.35 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 72 P 0.00 3.88 0.00 1.51 0.51 0.00 4.04 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 1.80 1.49 0.00 73 P 0.00 4.38 0.00 2.10 2.01 0.00 3.20 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.82 0.00 74 Q 8.27 4.58 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 75 I 7.73 4.60 1.70 0.00 0.00 1.00 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 1.07 0.57 0.00 0.00 76 D 8.49 4.33 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 77 N 8.81 3.82 0.00 2.21 1.42 0.00 0.00 6.77 7.58 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 78 G 7.39 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.75 4.77 1.84 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 1.35 0.90 0.93 0.00 0.00 80 I 8.07 4.22 1.71 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.39 0.66 0.00 0.00 81 Q 8.61 3.98 0.00 1.85 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.98 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 82 G 8.36 3.54 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 0.00 0.00 0.00 83 E 8.12 4.26 0.00 1.93 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 2.39 2.55 0.00 84 R 7.98 4.35 0.00 0.67 1.45 0.00 2.65 0.00 0.00 2.97 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.33 0.00 85 D 8.26 4.37 0.00 2.44 2.39 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 86 H 7.46 4.81 0.00 2.75 2.40 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 8.87 4.86 0.00 3.04 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 88 G 9.69 4.82 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 89 Y 8.36 4.66 0.00 2.75 2.88 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 0.00 0.00 0.00 0.00 90 R 8.17 3.90 0.00 1.81 2.01 0.00 3.09 0.00 0.00 3.08 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.00 91 Q 7.86 4.61 0.00 2.36 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 92 S 8.55 5.19 0.00 3.12 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 93 V 8.28 4.36 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 -0.13 0.00 0.00 0.22 0.00 0.00 94 T 8.13 4.80 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 0.94 0.00 0.00 95 Y 8.45 5.13 0.00 2.76 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 96 A 8.80 4.82 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 97 C 8.79 5.00 0.00 2.94 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 98 N 8.82 4.74 0.00 2.56 2.77 0.00 0.00 6.80 7.82 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 99 K 8.61 4.02 0.00 1.75 1.81 0.00 1.81 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.44 7.81 100 G 9.30 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 0.00 0.00 0.00 101 F 8.06 5.09 0.00 2.99 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 0.00 102 T 8.93 4.67 4.26 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 1.21 0.00 0.00 103 M 8.63 4.80 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.58 0.00 104 I 9.26 4.40 1.86 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 1.16 0.80 0.90 0.00 0.00 105 G 9.13 3.66 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 0.00 0.00 0.00 106 E 8.55 4.00 0.00 1.98 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 2.36 2.33 0.00 107 H 9.04 4.53 0.00 3.21 3.35 0.00 5.80 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 7.89 5.28 0.00 3.74 3.44 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 0.00 0.00 0.00 0.00 109 I 8.35 4.89 2.05 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.78 1.02 0.00 0.00 110 Y 9.27 5.36 0.00 2.88 2.88 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 0.00 0.00 0.00 0.00 111 C 9.24 4.27 0.00 2.16 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 0.00 112 T 9.00 5.18 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 1.36 0.00 0.00 113 V 8.32 4.79 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 0.48 0.00 0.00 0.61 0.00 0.00 114 N 8.99 4.58 0.00 2.70 2.63 0.00 0.00 6.57 6.29 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 0.00 115 N 9.42 4.20 0.00 2.81 2.78 0.00 0.00 7.25 8.47 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 0.00 116 D 8.08 4.38 0.00 2.83 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 0.00 117 A 7.58 4.70 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 0.00 118 G 8.42 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 0.00 119 E 9.23 4.75 0.00 1.92 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 2.24 2.31 0.00 120 W 8.76 4.72 0.00 3.40 3.13 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 0.00 121 S 9.63 4.41 0.00 3.95 4.26 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 0.00 122 G 7.39 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 0.00 0.00 0.00 0.00 123 P 0.00 4.64 0.00 2.14 2.04 0.00 3.94 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 1.96 1.94 0.00 124 P 0.00 4.16 0.00 1.50 1.66 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 125 P 0.00 4.58 0.00 2.00 2.21 0.00 2.57 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.86 0.00 126 E 9.31 4.66 0.00 1.93 1.75 0.00 0.00 0.00 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 2.22 0.00 127 C 8.91 5.46 0.00 2.92 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 *128 R 8.91 4.60 0.00 1.48 1.77 0.00 3.30 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.42 0.00 *129 G 8.44 3.71 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 0.00 * Residues marked with a * may have inaccurate shift predictions.