NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3102 8.1627 120.3360 55.4239 32.7604 174.6490 2 K 4.0775 8.1522 131.3199 54.0447 30.7204 169.5449 3 V 3.5917 9.2304 123.0688 63.4661 32.5200 173.9015 4 I 4.9447 8.9370 128.9827 59.2156 36.9092 174.2784 5 F 4.5238 9.7721 121.0842 57.0205 38.2064 175.5517 6 L 4.7058 9.2180 124.7902 51.4692 42.0082 177.8195 7 K 5.5531 8.7163 125.4128 56.3279 34.0175 176.2523 8 D 4.4628 8.4081 112.2822 54.7223 39.8300 180.2607 9 V 3.7016 10.4720 130.1621 64.0629 31.1169 170.3240 10 K 4.8427 7.9252 116.8484 57.7888 39.7896 176.5776 11 G 4.2612 7.6172 104.9689 45.2321 0.0000 172.3427 12 K 4.5064 8.0162 123.3233 55.7268 34.7929 172.5271 13 G 5.0543 8.2166 108.4920 45.8873 0.0000 174.5025 14 K 4.6415 7.8294 122.3088 57.0024 32.0271 178.0092 15 K 4.7009 8.1312 118.3415 55.7952 34.6050 176.6198 16 G 3.9558 9.3510 111.1179 46.2816 0.0000 173.4954 17 E 3.9018 5.9000 120.5799 54.0868 28.4287 172.8663 18 I 5.5155 7.1858 120.7570 58.7329 39.6699 174.1452 19 K 4.5314 8.6481 129.8603 54.7630 35.9169 174.7795 20 N 5.6132 8.3757 121.5407 51.0261 37.5118 175.2562 21 V 3.9848 7.7392 120.9037 62.9986 32.4616 176.9334 22 A 3.0190 8.4543 116.0199 54.3214 18.1491 177.9874 23 D 4.2160 7.8930 118.6572 54.2536 42.2066 175.6402 24 G 3.9018 8.8241 111.7603 49.8103 0.0000 174.9099 25 Y 4.1260 9.2058 112.5222 60.8638 37.4807 178.2050 26 A 2.5800 5.8000 128.4534 55.6431 19.4369 180.1539 27 N 3.3344 7.3286 108.1735 57.8984 39.7107 176.0668 28 N 4.2535 7.7587 115.7481 57.0048 39.8348 176.0389 29 F 4.2433 7.7217 115.7759 60.5244 37.5793 177.1501 30 L 4.1820 8.2330 119.7376 57.0046 41.5664 179.3430 31 F 4.8269 8.1571 116.1522 58.7043 39.0586 178.3096 32 K 4.0994 8.1994 118.3563 60.6490 32.0069 178.8816 33 Q 3.7355 8.1064 114.7648 56.2914 29.9560 177.1004 34 G 3.8864 7.6808 112.6451 45.3598 0.0000 173.9892 35 L 4.4452 7.7110 122.1474 52.9972 44.2183 176.6451 36 A 4.0266 6.1366 120.1270 51.9903 22.7799 176.2470 37 I 4.7344 7.0592 115.5039 60.4245 41.6866 173.9148 38 E 4.7266 9.3274 120.5993 56.3571 30.3306 178.8643 39 A 3.4239 8.4000 122.3537 53.2643 19.8682 175.9037 40 T 3.3884 7.9619 116.7541 62.8112 66.9603 171.1226 41 P 4.2190 0.0000 0.0000 66.3306 30.7930 177.7966 42 A 3.9585 8.1540 119.5489 54.6449 18.1272 178.4814 43 N 4.5224 9.6615 113.5980 54.2524 39.4058 177.4639 44 L 4.0148 7.6437 120.5905 58.4088 41.6922 178.7849 45 K 3.7878 8.7064 117.5171 60.2879 31.8506 179.8148 46 A 3.6035 8.7308 118.3921 53.9397 19.0507 179.0575 47 L 3.8789 8.6711 117.2320 59.1492 40.5009 179.3829 48 E 3.9410 8.3842 120.5194 59.0495 29.3888 177.9323 49 A 4.0081 8.4298 121.2730 55.1426 18.2642 179.1001 50 Q 3.8823 8.7218 116.4087 58.8100 29.0995 179.2516 51 K 3.9037 7.9611 118.6266 59.9228 32.3957 178.5568 52 Q 4.0149 8.2356 117.7265 59.2903 28.6404 179.6595 53 K 3.8928 8.4096 119.0237 60.0737 32.2201 179.0279 54 E 4.6700 8.3597 119.7929 58.9428 29.2494 179.4668 55 Q 3.9979 8.3543 118.5065 58.9966 28.7721 178.9687 56 R 3.9038 7.9992 118.3885 59.6043 30.1929 178.4128 57 Q 4.7818 8.4362 118.6146 59.0690 28.6912 178.8420 58 A 3.9359 8.5289 121.1412 55.2786 18.3470 179.1020 59 A 3.9222 8.5266 117.4306 55.6719 18.6668 178.9096 60 E 3.7252 8.2931 116.6378 60.3929 29.5154 178.9731 61 E 3.9199 8.8727 118.2935 59.2297 29.5520 179.2592 62 L 3.8443 8.0760 119.1493 58.0800 41.6775 179.2963 63 A 3.9460 8.0917 120.0507 55.2702 18.3671 179.1440 64 N 4.0885 8.2109 114.2656 57.0489 38.7643 176.4750 65 A 3.8453 8.5623 119.9191 54.8034 17.9998 179.7872 66 K 4.0576 7.9316 115.6416 58.5755 32.8426 178.7576 67 K 3.9175 8.3328 118.8474 59.6801 31.9914 179.2355 68 L 3.9850 8.0710 118.9647 58.3545 41.4510 178.6270 69 K 3.7165 8.5664 119.0442 60.5135 31.8148 178.2820 70 E 4.6402 8.7740 118.1984 59.1628 29.8696 178.9619 71 Q 3.9739 7.9927 119.1601 58.8101 28.6184 179.1628 72 L 3.9464 7.9149 118.4577 58.0771 42.0778 178.9126 73 E 4.0614 8.3479 118.6391 59.8602 29.1736 179.7915 74 K 3.9342 8.0715 117.1894 58.8591 32.5084 177.7426 75 L 4.0215 7.5970 119.1737 55.2540 42.3418 175.8820 76 T 4.4435 8.0416 108.8031 59.4536 70.6598 174.1138 77 V 3.6862 8.3522 126.6905 62.9006 31.5874 174.4927 78 T 4.1849 8.1917 118.4101 60.0755 69.3770 173.9057 79 I 4.5322 8.4529 128.3722 59.0398 40.6493 172.8445 80 P 5.2315 0.0000 0.0000 61.3812 32.7830 174.9108 81 A 4.7182 9.1411 125.7595 51.0303 23.3953 174.2740 82 K 4.9858 8.2915 115.4366 54.5174 35.0751 175.8960 83 A 2.8214 8.2501 127.7571 52.2817 22.6806 176.5141 84 G 3.9038 7.6490 102.7830 47.2656 0.0000 173.1428 85 E 4.7230 6.7151 120.3112 52.6051 31.0830 177.6382 86 G 4.5277 7.5367 119.6332 46.9286 0.0000 173.1227 *88 R 5.5983 7.4823 117.8649 55.2959 30.9480 175.8279 89 L 4.0765 8.2576 122.5572 54.9142 42.2063 178.4225 90 F 4.4081 8.6475 120.0856 59.7097 38.9626 176.7466 91 G 4.1049 7.5913 109.2437 44.1362 0.0000 171.9613 92 S 3.3455 8.1535 113.5538 58.2380 63.5446 171.4476 93 I 4.3990 8.4479 115.8108 59.8307 38.3281 174.4671 94 T 4.7202 10.7500 120.6808 59.8473 68.5233 174.7956 95 S 4.1993 8.7902 123.5251 60.3249 62.2065 175.5921 96 K 3.8245 8.0241 121.8106 60.4807 31.8355 177.9099 97 Q 4.6129 8.5224 119.6441 58.9958 28.5750 178.6032 98 I 3.5460 7.9807 118.7443 64.6280 36.9310 177.4601 99 A 3.9427 8.7184 120.9767 55.7679 18.4538 179.2781 100 E 3.8821 8.3957 116.2655 60.7291 29.6055 179.5707 101 S 4.9508 8.9393 117.4042 59.3149 62.6212 176.3561 102 L 3.9250 8.5282 122.7052 59.7431 40.2913 179.6761 103 Q 4.6470 8.6696 120.4401 57.8813 28.4917 178.2911 104 A 3.9573 7.7785 121.2093 55.1357 18.6907 178.6858 105 Q 4.4200 8.5808 115.2501 57.2546 30.3598 177.2945 106 H 4.4768 8.4854 115.1719 56.0029 29.4490 175.9591 107 G 4.0171 8.4309 107.6585 44.9787 0.0000 173.7152 108 L 4.2733 7.7040 120.7230 53.9847 43.1703 175.6397 109 K 4.5944 8.3509 123.4407 54.8481 31.9751 175.9046 110 L 4.7786 7.9092 125.1315 53.8338 45.8120 175.4465 111 D 4.8568 7.3755 118.5057 51.8117 43.7952 175.3072 112 K 4.4376 8.8798 117.3703 57.3131 40.2520 177.0661 113 R 4.0051 8.2610 121.3209 57.7245 31.0430 179.6180 114 K 4.1773 8.4319 116.1980 55.7048 31.3496 175.9237 115 I 2.8421 8.1858 122.6489 63.5518 36.5598 172.5573 116 E 4.6281 8.3187 118.7137 54.7494 31.7294 176.1944 117 L 4.5052 8.3848 123.3008 53.0912 45.4378 175.4975 118 A 4.1094 9.0414 127.7682 53.9790 18.4608 176.3823 119 D 4.2945 7.4755 109.7390 53.2009 42.3039 175.3515 120 A 4.6942 8.6295 120.7750 52.7725 18.7233 177.0601 121 I 4.5455 8.0232 120.9783 60.0185 40.0545 176.5392 122 R 4.4978 8.1208 116.0454 56.8270 33.4794 174.5567 123 A 5.3131 7.6164 120.0817 55.7785 18.7179 176.5055 124 L 3.0892 8.7072 119.3336 56.4367 45.0116 178.5748 125 G 3.9130 10.4757 113.1541 46.2394 0.0000 176.5467 126 Y 4.3833 9.4648 127.3876 58.4178 36.6485 174.4225 127 T 4.9024 8.8625 120.8985 62.0037 73.5543 172.6546 128 N 5.4529 8.7667 121.5214 51.0372 40.7742 173.5274 129 V 4.4914 8.4810 119.8459 60.4243 34.8432 172.5396 130 P 4.7708 0.0000 0.0000 62.1956 32.8743 174.9678 131 V 4.4141 8.5787 125.9695 60.4847 33.2431 175.1972 132 K 4.4181 7.8230 127.4081 56.9135 32.3778 176.3984 133 L 4.7003 8.4622 119.9354 55.9470 47.9740 175.7895 134 H 4.9356 8.0647 117.6249 54.1530 32.2708 173.4074 135 P 4.0039 0.0000 0.0000 64.8487 31.7283 176.2287 136 E 4.7040 8.9659 116.3783 57.2829 35.0458 175.3746 137 V 4.5335 7.4355 111.7743 60.7521 36.1043 172.8676 138 T 4.5490 8.0176 112.7152 60.8141 70.5731 171.3670 139 A 4.7762 8.7296 122.0903 51.0449 22.3387 175.7597 140 T 4.6680 8.6140 119.8456 62.4585 69.6843 174.0303 141 L 4.9523 8.9579 128.2567 52.7788 46.8230 174.8426 142 K 4.5350 8.3806 121.0522 55.8415 34.3228 175.6161 143 V 4.7385 8.5128 125.0041 60.9424 34.5508 173.7466 144 H 5.9082 8.9017 122.7013 52.8172 31.4045 172.6299 145 V 5.4571 8.2463 119.5190 61.0705 35.6338 173.4315 146 T 4.7973 8.1323 117.3962 60.7096 71.4104 172.6164 147 E 5.4264 9.0466 125.4273 55.0179 29.7465 177.6555 148 Q 3.9498 8.9015 123.3764 56.5644 28.8434 176.8633 149 K 4.2052 8.1326 125.5224 57.1146 33.7286 174.9288 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 8.16 4.31 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 2 K 8.15 4.08 0.00 1.97 1.71 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.54 7.81 3 V 9.23 3.59 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 0.99 0.00 0.00 0.79 0.00 0.00 4 I 8.94 4.94 2.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.82 0.71 0.00 0.00 5 F 9.77 4.52 0.00 3.19 3.35 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 6 L 9.22 4.71 0.00 1.23 1.78 0.83 0.28 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 7 K 8.72 5.55 0.00 1.89 0.90 0.00 1.71 0.00 0.00 2.39 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.23 1.17 7.81 8 D 8.41 4.46 0.00 2.90 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 0.00 0.00 0.00 9 V 10.47 3.70 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 0.81 0.00 0.00 1.01 0.00 0.00 10 K 7.93 4.84 0.00 1.89 1.84 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.20 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.41 7.81 11 G 7.62 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 0.00 0.00 0.00 12 K 8.02 4.51 0.00 1.75 1.76 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.21 7.81 13 G 8.22 5.05 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 14 K 7.83 4.64 0.00 1.80 1.83 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.55 7.81 15 K 8.13 4.70 0.00 1.86 1.76 0.00 1.76 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.53 7.81 16 G 9.35 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 17 E 5.90 3.90 0.00 1.67 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 2.08 2.36 0.00 18 I 7.19 5.52 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.28 0.87 0.00 0.00 19 K 8.65 4.53 0.00 1.83 1.62 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.38 7.81 20 N 8.38 5.61 0.00 2.65 2.68 0.00 0.00 7.22 7.68 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 21 V 7.74 3.98 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 1.03 0.00 0.00 0.96 0.00 0.00 22 A 8.45 3.02 0.79 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 23 D 7.89 4.22 0.00 2.85 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 24 G 8.82 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 0.00 0.00 0.00 25 Y 9.21 4.13 0.00 3.25 3.15 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 26 A 5.80 2.58 1.07 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 0.00 0.00 27 N 7.33 3.33 0.00 2.67 2.61 0.00 0.00 6.91 6.23 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 28 N 7.76 4.25 0.00 2.76 2.79 0.00 0.00 7.17 8.52 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 29 F 7.72 4.24 0.00 3.24 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 30 L 8.23 4.18 0.00 1.45 1.86 0.97 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.16 4.83 0.00 2.99 3.05 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 32 K 8.20 4.10 0.00 2.04 1.92 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.84 7.81 33 Q 8.11 3.74 0.00 2.47 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.56 0.00 34 G 7.68 3.89 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 0.00 0.00 0.00 35 L 7.71 4.45 0.00 1.83 1.65 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 36 A 6.14 4.03 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.06 4.73 1.73 0.00 0.00 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 1.27 0.73 0.95 0.00 0.00 38 E 9.33 4.73 0.00 2.01 1.91 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 2.29 2.37 0.00 39 A 8.40 3.42 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 40 T 7.96 3.39 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 1.24 0.00 0.00 41 P 0.00 4.22 0.00 2.26 2.36 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 42 A 8.15 3.96 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 43 N 9.66 4.52 0.00 2.96 2.81 0.00 0.00 6.94 6.62 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 44 L 7.64 4.01 0.00 1.70 1.75 0.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.71 3.79 0.00 2.09 1.80 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.58 7.81 46 A 8.73 3.60 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 47 L 8.67 3.88 0.00 2.00 2.00 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.38 3.94 0.00 2.13 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 0.00 2.32 2.40 0.00 49 A 8.43 4.01 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 50 Q 8.72 3.88 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 51 K 7.96 3.90 0.00 2.03 1.89 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.60 7.81 52 Q 8.24 4.01 0.00 2.37 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.66 0.00 0.00 0.00 0.00 0.00 2.40 2.73 0.00 53 K 8.41 3.89 0.00 1.93 1.90 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.65 1.67 7.81 54 E 8.36 4.67 0.00 2.10 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 0.00 2.33 2.37 0.00 55 Q 8.35 4.00 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.74 0.00 56 R 8.00 3.90 0.00 1.98 1.99 0.00 3.15 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 57 Q 8.44 4.78 0.00 2.36 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 58 A 8.53 3.94 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 59 A 8.53 3.92 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 60 E 8.29 3.73 0.00 2.07 2.23 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 2.31 2.39 0.00 61 E 8.87 3.92 0.00 2.07 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 2.33 2.38 0.00 62 L 8.08 3.84 0.00 1.86 1.77 0.94 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.09 3.95 1.31 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 0.00 0.00 0.00 64 N 8.21 4.09 0.00 2.74 2.89 0.00 0.00 7.00 6.69 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 65 A 8.56 3.85 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 66 K 7.93 4.06 0.00 1.90 1.87 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.54 7.81 67 K 8.33 3.92 0.00 1.83 1.85 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.62 7.81 68 L 8.07 3.98 0.00 1.79 1.72 0.91 0.77 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 69 K 8.57 3.72 0.00 1.77 1.92 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.22 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.55 7.81 70 E 8.77 4.64 0.00 2.27 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 2.29 2.25 0.00 71 Q 7.99 3.97 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 72 L 7.91 3.95 0.00 1.59 1.71 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.35 4.06 0.00 2.17 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 0.00 2.34 2.56 0.00 74 K 8.07 3.93 0.00 2.04 1.86 0.00 2.08 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.70 7.81 75 L 7.60 4.02 0.00 1.61 1.63 0.99 0.88 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 76 T 8.04 4.44 4.24 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 1.22 0.00 0.00 77 V 8.35 3.69 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 0.91 0.00 0.00 0.84 0.00 0.00 78 T 8.19 4.18 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 1.46 0.00 0.00 79 I 8.45 4.53 1.84 0.00 0.00 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 1.18 0.64 0.90 0.00 0.00 80 P 0.00 5.23 0.00 1.95 2.01 0.00 3.66 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 81 A 9.14 4.72 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 82 K 8.29 4.99 0.00 1.92 1.97 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.48 7.81 83 A 8.25 2.82 0.89 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 0.00 0.00 84 G 7.65 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 0.00 0.00 0.00 85 E 6.72 4.72 0.00 1.88 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 2.19 2.24 0.00 86 G 7.54 4.53 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 0.00 0.00 0.00 *88 R 7.48 5.60 0.00 1.78 1.86 0.00 3.26 0.00 0.00 3.86 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.59 0.00 89 L 8.26 4.08 0.00 1.71 1.78 0.92 1.23 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 90 F 8.65 4.41 0.00 2.91 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 91 G 7.59 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 0.00 0.00 0.00 92 S 8.15 3.35 0.00 4.10 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 93 I 8.45 4.40 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 1.60 0.81 0.97 0.00 0.00 94 T 10.75 4.72 4.24 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 1.33 0.00 0.00 95 S 8.79 4.20 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 96 K 8.02 3.82 0.00 1.86 1.80 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.95 1.55 7.81 97 Q 8.52 4.61 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.47 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 98 I 7.98 3.55 2.04 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.68 0.88 0.00 0.00 99 A 8.72 3.94 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.40 3.88 0.00 2.17 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 2.35 2.66 0.00 101 S 8.94 4.95 0.00 3.99 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 0.00 102 L 8.53 3.93 0.00 1.85 1.92 0.91 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 8.67 4.65 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.55 2.39 0.00 104 A 7.78 3.96 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 8.58 4.42 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.65 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 106 H 8.49 4.48 0.00 3.27 3.36 0.00 5.81 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.43 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 0.00 108 L 7.70 4.27 0.00 1.69 1.53 0.92 0.89 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 0.00 109 K 8.35 4.59 0.00 1.77 1.76 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.35 7.81 110 L 7.91 4.78 0.00 1.53 1.47 0.91 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 111 D 7.38 4.86 0.00 2.70 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 0.00 0.00 0.00 0.00 112 K 8.88 4.44 0.00 1.83 1.76 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.49 7.81 113 R 8.26 4.01 0.00 1.85 2.08 0.00 3.38 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.64 0.00 114 K 8.43 4.18 0.00 1.68 1.69 0.00 2.10 0.00 0.00 1.71 0.00 0.00 3.22 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.68 1.57 7.81 115 I 8.19 2.84 1.86 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 1.40 0.36 0.90 0.00 0.00 116 E 8.32 4.63 0.00 2.09 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 2.22 2.26 0.00 117 L 8.38 4.51 0.00 1.57 1.59 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 118 A 9.04 4.11 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 0.00 119 D 7.48 4.29 0.00 2.76 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 0.00 120 A 8.63 4.69 1.29 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 0.00 0.00 121 I 8.02 4.55 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 1.30 0.69 0.94 0.00 0.00 122 R 8.12 4.50 0.00 1.78 1.80 0.00 3.15 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 1.48 1.62 0.00 123 A 7.62 5.31 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 0.00 124 L 8.71 3.09 0.00 1.68 1.86 0.96 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 125 G 10.48 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 0.00 126 Y 9.46 4.38 0.00 2.92 3.05 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 0.00 127 T 8.86 4.90 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 1.22 0.00 0.00 128 N 8.77 5.45 0.00 2.77 2.68 0.00 0.00 5.80 7.68 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 0.00 129 V 8.48 4.49 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 1.09 0.00 0.00 0.90 0.00 0.00 130 P 0.00 4.77 0.00 2.57 2.17 0.00 3.69 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 2.07 1.95 0.00 131 V 8.58 4.41 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 1.07 0.00 0.00 0.95 0.00 0.00 132 K 7.82 4.42 0.00 1.73 1.74 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.27 7.81 133 L 8.46 4.70 0.00 1.59 1.64 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 134 H 8.06 4.94 0.00 3.15 3.26 0.00 5.81 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 P 0.00 4.00 0.00 2.12 2.04 0.00 3.66 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.90 0.00 136 E 8.97 4.70 0.00 1.83 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 2.22 2.26 0.00 137 V 7.44 4.53 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 0.80 0.00 0.00 0.98 0.00 0.00 138 T 8.02 4.55 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 1.26 0.00 0.00 139 A 8.73 4.78 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 0.00 140 T 8.61 4.67 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 0.00 141 L 8.96 4.95 0.00 1.59 1.43 0.89 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 142 K 8.38 4.54 0.00 1.71 1.86 0.00 1.39 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 1.34 7.81 143 V 8.51 4.74 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 0.98 0.00 0.00 0.86 0.00 0.00 144 H 8.90 5.91 0.00 3.18 2.44 0.00 5.53 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 8.25 5.46 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 1.14 0.00 0.00 0.91 0.00 0.00 146 T 8.13 4.80 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 1.28 0.00 0.00 147 E 9.05 5.43 0.00 1.98 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 2.42 2.12 0.00 148 Q 8.90 3.95 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.06 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 149 K 8.13 4.21 0.00 1.99 1.86 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.