NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2880 8.1593 117.3872 63.7630 68.8394 173.8483 3 T 4.1417 7.8287 118.1463 59.6959 71.5724 172.9467 4 P 4.1473 0.0000 0.0000 65.4289 31.6173 180.2754 5 S 4.1401 7.9178 111.8143 61.5154 62.3598 175.8651 6 M 3.9682 7.7755 121.1966 58.3769 31.6044 178.4746 7 E 3.8290 8.0155 118.6616 59.4578 29.6667 178.8406 8 D 4.3374 7.9113 117.8341 57.6391 41.2524 178.0408 9 Y 3.8871 8.1510 117.0427 61.2177 37.8375 178.5788 10 I 3.8456 8.1207 121.0277 64.2956 37.2226 178.1091 11 E 3.9643 8.5712 120.5990 59.3229 29.5055 178.7598 12 Q 3.9716 8.1470 119.5811 59.2273 29.1460 178.1396 13 I 3.7711 8.4252 121.2521 64.4269 37.0919 177.7202 14 Y 4.0542 8.3768 120.5717 61.0705 38.5915 178.1078 15 M 4.0317 8.1197 119.3154 58.3790 32.0800 178.7604 16 L 3.8948 7.9685 118.9989 57.8796 41.7785 179.6626 17 I 3.7134 7.7569 119.6672 64.4249 36.7770 178.4258 18 E 3.7800 7.8174 118.5439 59.0091 29.2726 178.8553 19 E 3.9655 8.2063 118.8535 59.0347 29.9542 178.1825 20 K 4.0981 8.0534 116.3408 56.1074 33.0368 177.7061 21 G 4.0290 8.7990 106.0292 45.1554 0.0000 172.5191 22 Y 4.6485 6.3781 114.8165 55.9634 40.3202 173.8139 23 A 4.6316 8.6135 123.2355 50.2923 20.7433 176.3862 24 R 4.6007 8.4268 121.7641 55.4147 32.9605 177.7763 25 V 3.6482 8.5008 122.1647 66.1784 31.4531 178.5852 26 S 4.1253 8.0423 113.5092 61.7120 62.8498 176.1836 27 D 4.4018 8.0094 122.2978 56.7368 40.4959 178.7668 28 I 3.6385 8.1838 120.5514 64.3269 37.1909 178.0574 29 A 3.9691 8.4585 121.9648 55.4275 18.0722 179.3679 30 E 3.9250 8.2973 117.3824 59.2769 29.5120 178.8501 31 A 4.0344 8.1594 120.2131 54.2808 18.5253 178.5595 32 L 4.2576 8.0201 114.6917 53.2333 43.3026 176.1099 33 A 3.7595 7.5208 121.0615 53.3566 16.2856 175.8643 34 V 4.5882 8.0915 113.2841 58.6531 36.7529 176.2679 35 H 4.4119 8.5353 120.0592 55.2833 31.6976 174.1237 36 P 4.3605 0.0000 0.0000 65.6697 30.8398 179.0350 37 S 4.1179 8.1745 114.1398 61.6476 63.2310 176.2311 38 S 4.1193 8.2164 118.7146 61.2583 62.4838 176.8905 39 V 3.8569 7.7555 120.3019 66.4312 31.4849 178.1231 40 T 3.7710 8.3523 115.8840 66.5226 68.3358 176.4797 41 K 3.8811 8.2755 121.7033 59.6762 32.2331 178.6327 42 M 3.7890 7.6876 118.0390 58.4059 31.9334 178.2628 43 V 3.6102 7.9227 118.7359 66.2193 31.6148 178.1047 44 Q 3.9946 7.8982 117.3225 58.6292 28.4910 178.6058 45 K 3.9545 7.7954 120.3954 59.4762 32.1771 178.9989 46 L 4.2471 8.3528 119.8267 57.5915 41.4098 178.9623 47 D 4.8187 8.5037 119.8499 56.8243 41.0447 177.9917 48 K 3.8978 7.9706 118.7225 59.7762 32.2476 177.6014 49 D 4.5298 8.0421 115.1283 53.6591 41.1027 175.8844 50 E 3.7476 8.1548 118.2263 57.9301 27.4122 174.8338 51 Y 4.6772 8.1857 117.4186 59.0904 40.2875 176.1037 52 L 5.2375 7.8033 117.6774 54.8246 44.7727 174.3528 53 I 4.7398 9.4005 120.7142 59.6915 39.9468 174.5092 54 Y 4.7454 8.9196 129.2319 56.2473 39.4213 175.8914 *59 G 3.7435 8.3812 117.5576 45.1230 0.0000 172.3445 60 L 4.4113 8.1742 122.3172 54.2349 42.5390 175.5306 61 V 4.5620 8.4268 126.3880 60.9994 34.3371 174.5429 62 L 4.9091 8.6523 127.6271 54.6554 42.8345 176.7993 63 T 4.4527 8.7434 113.8420 60.6522 70.6423 175.7052 64 S 4.1645 8.8821 116.9262 61.7195 62.3561 176.6245 65 K 4.0299 8.0990 122.5642 59.4410 32.0792 178.9709 66 G 3.8640 7.9622 106.0343 47.6018 0.0000 175.9723 67 K 4.2379 8.3882 120.8794 59.3429 32.1052 179.5320 68 K 3.9480 8.0765 118.7654 59.4843 31.9674 179.5677 69 I 3.8593 7.7384 120.0942 64.3585 37.0306 178.5542 70 G 3.4731 8.3908 106.9916 47.6373 0.0000 175.5303 71 K 3.3517 7.5243 121.9522 59.0581 32.1405 179.1674 72 R 4.1339 7.9267 118.3322 59.3871 30.0373 179.0796 73 L 3.9824 8.4241 119.2227 57.7796 41.6148 179.8112 74 V 3.6652 8.1062 118.5717 66.0584 31.4873 177.4892 75 Y 4.1030 8.2436 119.4328 60.6916 38.6576 178.0198 76 R 3.6136 8.4077 119.9035 59.2936 30.1472 177.9816 77 H 3.9335 8.1431 118.0961 59.3483 29.8856 177.0870 78 E 4.0190 8.0788 120.2912 59.3466 29.2316 179.1521 79 L 3.9910 7.5999 120.2844 58.1745 42.0956 179.0900 80 L 4.1243 7.8641 118.9245 57.7063 41.4927 179.4041 81 E 3.9598 8.2492 118.6423 59.4458 29.4344 179.2525 82 Q 4.0049 8.2709 118.2243 58.8859 28.9129 178.5450 83 F 4.2744 8.5970 121.9202 61.7158 39.4116 177.3210 84 L 3.3832 7.8186 118.2624 57.2305 41.3020 179.6070 85 R 3.7685 8.2389 119.2278 59.5132 29.8605 178.5817 86 I 3.6501 7.9772 118.7679 64.0919 37.1681 177.5827 87 I 3.8732 7.0053 110.3521 60.8184 37.5612 176.3468 88 G 3.7502 7.5961 108.3132 45.9788 0.0000 174.1315 89 V 3.7087 7.3951 118.6908 61.7224 32.3004 175.7859 90 D 4.3699 8.5534 125.6407 54.5903 41.5629 176.8964 91 E 3.9153 9.1447 124.8151 59.6325 29.3009 178.9405 92 E 4.0400 8.1854 115.5483 58.8495 29.3643 178.2122 93 K 4.3254 8.0441 117.9894 57.0344 32.5617 178.7954 94 I 3.6748 7.3887 120.7311 64.4177 37.0955 177.2970 95 Y 4.0864 8.0677 119.7327 61.1068 38.3862 177.9267 96 N 4.2300 8.2660 116.6109 56.3138 38.4974 177.0860 97 D 4.2967 7.7504 119.5112 57.2033 40.8450 178.8904 98 V 3.4500 7.6536 118.7120 66.0646 31.2885 177.8077 99 E 4.0935 7.1137 118.4535 58.5369 29.3284 179.0805 100 G 3.8083 7.6107 103.8089 45.8401 0.0000 174.8236 101 I 4.3442 7.4162 114.5637 61.5617 38.4421 177.3379 102 E 3.7040 8.1779 119.4409 59.7574 29.1014 178.2513 103 H 4.6518 7.7721 112.9702 55.8947 28.6477 174.9102 104 H 4.9594 8.3242 115.8138 55.1547 29.7214 173.0375 105 L 4.6959 7.5895 118.8286 52.2532 44.3865 177.2695 106 S 4.3516 8.2907 117.7742 58.0234 65.1261 175.4729 107 W 4.0779 8.6395 121.5655 59.4326 28.7584 178.3707 108 N 4.3515 8.2999 116.9179 56.8682 38.3956 176.8634 109 S 4.0794 7.8923 115.9016 61.6128 62.8387 176.6830 110 I 3.5989 7.6838 122.3659 64.6510 36.8969 178.2495 111 D 4.5053 8.9152 119.8816 57.5870 40.7280 179.1560 112 R 4.1592 8.2753 118.4939 59.0464 30.0343 179.0370 113 I 3.7971 8.0189 120.1627 63.6200 37.0492 178.5915 114 G 3.7074 8.2672 107.2597 48.1001 0.0000 175.6300 115 D 4.4933 8.3050 121.6416 56.6026 40.8122 178.7387 116 L 3.9788 7.8240 121.1038 58.1401 42.1501 179.1332 117 V 3.8644 8.1089 118.3253 66.0751 31.4667 177.7968 118 Q 4.0204 8.2321 119.3526 59.1679 28.6895 177.2511 119 Y 4.0271 7.9573 119.7331 61.1158 39.2067 178.1831 120 F 4.2635 8.2782 118.1669 60.4450 38.8563 177.7805 121 E 4.1753 8.4084 117.7772 58.9957 29.2955 178.6643 122 E 4.4440 8.0730 116.7946 57.2014 30.3027 176.1382 123 D 4.4556 7.5328 117.8916 51.4330 43.0344 175.0727 124 D 4.4673 8.7163 126.7224 56.7554 41.1803 177.5829 125 A 4.0555 8.4077 121.5716 55.3177 18.3242 179.7568 126 R 4.0270 8.0068 116.7264 59.2008 30.0407 179.3866 127 K 4.1152 8.0428 118.1359 59.3283 32.1556 179.3779 128 K 4.0154 8.1070 118.8388 59.5190 32.0002 179.2049 129 D 4.3817 8.2472 119.2909 57.1154 40.6150 178.4433 130 L 4.0019 8.1293 120.8932 58.1982 41.8934 178.8996 131 K 3.8721 7.9510 118.1278 59.5447 32.3395 178.4609 132 S 4.2841 7.9488 115.3491 61.8883 62.8933 176.8207 133 I 3.7632 7.6385 121.7035 64.4945 36.5519 178.5126 134 Q 4.1476 7.6229 118.1131 58.3969 28.5220 178.2692 135 K 4.1874 7.8222 119.0523 58.6266 32.3651 177.0530 136 K 4.1704 7.5434 120.9710 56.6453 31.9514 176.6266 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 T 8.16 4.29 4.30 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 1.20 0.00 0.00 3 T 7.83 4.14 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 1.21 0.00 0.00 4 P 0.00 4.15 0.00 2.15 2.03 0.00 3.58 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 2.13 2.09 0.00 5 S 7.92 4.14 0.00 3.91 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 6 M 7.78 3.97 0.00 1.88 2.12 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 2.54 2.48 0.00 7 E 8.02 3.83 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 2.26 2.53 0.00 8 D 7.91 4.34 0.00 2.81 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 9 Y 8.15 3.89 0.00 3.22 2.99 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 10 I 8.12 3.85 1.93 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 1.32 0.73 0.92 0.00 0.00 11 E 8.57 3.96 0.00 2.20 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 0.00 2.36 2.36 0.00 12 Q 8.15 3.97 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 13 I 8.43 3.77 1.98 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.77 1.01 0.00 0.00 14 Y 8.38 4.05 0.00 3.22 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 15 M 8.12 4.03 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.08 2.70 0.00 16 L 7.97 3.89 0.00 1.85 1.65 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.76 3.71 1.85 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.72 0.82 0.00 0.00 18 E 7.82 3.78 0.00 1.89 1.86 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 1.70 1.96 0.00 19 E 8.21 3.97 0.00 1.86 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 2.21 2.27 0.00 20 K 8.05 4.10 0.00 1.26 0.82 0.00 1.60 0.00 0.00 1.50 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.21 1.22 7.81 21 G 8.80 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 0.00 0.00 0.00 22 Y 6.38 4.65 0.00 3.05 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 23 A 8.61 4.63 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 R 8.43 4.60 0.00 1.96 1.91 0.00 3.19 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.95 0.00 25 V 8.50 3.65 2.11 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 0.96 0.00 0.00 0.96 0.00 0.00 26 S 8.04 4.13 0.00 4.10 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 0.00 27 D 8.01 4.40 0.00 2.94 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 28 I 8.18 3.64 2.06 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.95 0.89 0.00 0.00 29 A 8.46 3.97 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 30 E 8.30 3.92 0.00 2.06 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 0.00 2.29 2.31 0.00 31 A 8.16 4.03 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 32 L 8.02 4.26 0.00 1.51 1.53 -0.04 0.90 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 33 A 7.52 3.76 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 34 V 8.09 4.59 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 0.76 0.00 0.00 0.96 0.00 0.00 35 H 8.54 4.41 0.00 3.28 3.20 0.00 5.88 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.36 0.00 2.27 2.27 0.00 3.25 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.91 0.00 37 S 8.17 4.12 0.00 4.10 4.27 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 38 S 8.22 4.12 0.00 4.15 4.07 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 39 V 7.76 3.86 2.33 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 1.26 0.00 0.00 1.16 0.00 0.00 40 T 8.35 3.77 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 1.10 0.00 0.00 41 K 8.28 3.88 0.00 1.77 1.92 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.40 7.81 42 M 7.69 3.79 0.00 1.28 1.23 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.81 0.00 43 V 7.92 3.61 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 1.04 0.00 0.00 1.04 0.00 0.00 44 Q 7.90 3.99 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.19 2.53 0.00 45 K 7.80 3.95 0.00 1.89 1.94 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.47 7.81 46 L 8.35 4.25 0.00 1.91 1.85 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.50 4.82 0.00 2.97 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 K 7.97 3.90 0.00 1.87 2.07 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.51 7.81 49 D 8.04 4.53 0.00 3.02 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 50 E 8.15 3.75 0.00 1.90 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 2.20 2.38 0.00 51 Y 8.19 4.68 0.00 3.04 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 52 L 7.80 5.24 0.00 2.01 1.86 1.07 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 53 I 9.40 4.74 1.91 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 1.15 0.98 0.91 0.00 0.00 54 Y 8.92 4.75 0.00 2.92 3.12 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 *59 G 8.38 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 60 L 8.17 4.41 0.00 1.77 1.77 1.06 1.06 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 61 V 8.43 4.56 2.13 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 0.97 0.00 0.00 1.04 0.00 0.00 62 L 8.65 4.91 0.00 1.69 1.71 1.16 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.74 4.45 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 1.24 0.00 0.00 64 S 8.88 4.16 0.00 4.09 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 0.00 65 K 8.10 4.03 0.00 1.81 1.95 0.00 1.55 0.00 0.00 0.92 0.00 0.00 2.61 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.55 1.46 7.81 66 G 7.96 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 0.00 0.00 0.00 67 K 8.39 4.24 0.00 2.07 2.02 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.66 1.74 7.81 68 K 8.08 3.95 0.00 2.00 1.87 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.76 7.81 69 I 7.74 3.86 2.07 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.84 0.91 0.00 0.00 70 G 8.39 3.47 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 0.00 0.00 0.00 0.00 71 K 7.52 3.35 0.00 1.70 1.85 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.54 7.81 72 R 7.93 4.13 0.00 2.22 2.44 0.00 3.26 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.92 0.00 73 L 8.42 3.98 0.00 1.77 1.73 0.96 0.83 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 74 V 8.11 3.67 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 1.18 0.00 0.00 1.22 0.00 0.00 75 Y 8.24 4.10 0.00 3.22 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 76 R 8.41 3.61 0.00 1.97 1.95 0.00 2.79 0.00 0.00 2.50 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.37 0.00 77 H 8.14 3.93 0.00 3.48 3.44 0.00 5.84 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 78 E 8.08 4.02 0.00 2.03 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 2.47 0.00 79 L 7.60 3.99 0.00 1.22 1.47 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.86 4.12 0.00 1.83 1.67 0.77 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.25 3.96 0.00 2.21 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 2.33 2.51 0.00 82 Q 8.27 4.00 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.70 0.00 83 F 8.60 4.27 0.00 3.05 3.33 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 84 L 7.82 3.38 0.00 1.61 1.50 0.87 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.24 3.77 0.00 1.89 2.04 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 86 I 7.98 3.65 2.04 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.76 0.69 0.00 0.00 87 I 7.01 3.87 1.65 0.00 0.00 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 1.17 0.23 0.68 0.00 0.00 88 G 7.60 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 89 V 7.40 3.71 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 0.73 0.00 0.00 0.80 0.00 0.00 90 D 8.55 4.37 0.00 2.72 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 91 E 9.14 3.92 0.00 2.05 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 2.37 2.45 0.00 92 E 8.19 4.04 0.00 2.16 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 2.27 2.40 0.00 93 K 8.04 4.33 0.00 1.93 1.86 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.46 7.81 94 I 7.39 3.67 2.02 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.05 0.91 0.00 0.00 95 Y 8.07 4.09 0.00 3.07 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 96 N 8.27 4.23 0.00 2.82 2.84 0.00 0.00 7.05 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 97 D 7.75 4.30 0.00 2.86 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 98 V 7.65 3.45 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 0.70 0.00 0.00 0.91 0.00 0.00 99 E 7.11 4.09 0.00 1.88 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 1.52 1.60 0.00 100 G 7.61 3.81 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 0.00 0.00 0.00 101 I 7.42 4.34 1.85 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 1.79 1.20 0.98 0.00 0.00 102 E 8.18 3.70 0.00 1.90 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 0.00 2.16 1.64 0.00 103 H 7.77 4.65 0.00 2.94 3.18 0.00 5.64 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.32 4.96 0.00 3.13 3.21 0.00 5.59 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 0.00 105 L 7.59 4.70 0.00 1.42 1.40 0.81 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.29 4.35 0.00 4.09 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 0.00 107 W 8.64 4.08 0.00 3.47 3.27 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 0.00 108 N 8.30 4.35 0.00 2.89 2.85 0.00 0.00 7.24 7.63 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 0.00 109 S 7.89 4.08 0.00 4.02 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 0.00 110 I 7.68 3.60 2.05 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 1.51 0.37 0.99 0.00 0.00 111 D 8.92 4.51 0.00 2.87 2.80 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 0.00 112 R 8.28 4.16 0.00 1.92 1.94 0.00 3.28 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.80 0.00 113 I 8.02 3.80 1.84 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 0.81 0.65 0.51 0.00 0.00 114 G 8.27 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 0.00 115 D 8.30 4.49 0.00 2.85 2.75 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 0.00 0.00 0.00 116 L 7.82 3.98 0.00 1.93 1.91 1.06 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.11 3.86 2.34 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 1.05 0.00 0.00 1.18 0.00 0.00 118 Q 8.23 4.02 0.00 2.40 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.52 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 119 Y 7.96 4.03 0.00 2.95 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 0.00 120 F 8.28 4.26 0.00 3.35 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 0.00 121 E 8.41 4.18 0.00 2.07 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 2.57 2.54 0.00 122 E 8.07 4.44 0.00 2.12 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 2.35 2.21 0.00 123 D 7.53 4.46 0.00 2.61 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 0.00 0.00 0.00 0.00 124 D 8.72 4.47 0.00 2.76 2.65 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 0.00 0.00 0.00 0.00 125 A 8.41 4.06 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 0.00 126 R 8.01 4.03 0.00 1.94 1.93 0.00 2.70 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.46 0.00 127 K 8.04 4.12 0.00 2.01 1.85 0.00 1.70 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.59 1.80 7.81 128 K 8.11 4.02 0.00 2.00 1.87 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.78 1.63 7.81 129 D 8.25 4.38 0.00 2.95 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 0.00 130 L 8.13 4.00 0.00 2.00 1.79 0.97 -0.35 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 0.00 131 K 7.95 3.87 0.00 1.93 1.94 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.51 7.81 132 S 7.95 4.28 0.00 4.17 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 0.00 133 I 7.64 3.76 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.32 0.93 0.00 0.00 134 Q 7.62 4.15 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 135 K 7.82 4.19 0.00 1.87 1.86 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.72 7.81 136 K 7.54 4.17 0.00 1.92 1.73 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.60 7.81 * Residues marked with a * may have inaccurate shift predictions.