NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.7163 8.2714 118.2140 52.3315 38.9378 174.9200 12 G 3.4603 8.4021 104.5718 46.8776 0.0000 170.8217 13 V 3.6350 8.0700 120.3627 65.9206 31.9874 175.6438 14 H 4.1739 8.9393 118.4403 59.5543 29.6647 176.6936 15 D 4.2646 7.8480 120.1840 57.4207 40.2899 178.5830 16 F 4.0260 8.3583 120.8880 61.5199 39.2630 177.3505 17 I 3.7899 8.0219 119.1025 64.3606 36.9838 178.2924 18 L 3.9270 8.1979 120.2442 57.8049 41.4663 179.6542 19 V 3.5285 7.8088 118.0562 66.3577 31.3232 178.4104 20 R 3.9335 7.5592 116.6210 58.6451 29.9075 179.0743 21 A 4.0023 8.2087 121.4262 55.4299 18.4072 179.8164 22 T 3.8965 8.1367 108.1367 64.8066 68.6569 176.4433 23 A 3.9727 8.0718 123.7105 55.1433 18.5154 179.7031 24 I 3.7149 7.6253 118.4849 64.2829 37.1362 178.8308 25 V 3.6725 7.7375 118.6957 66.2435 31.4125 178.2133 26 L 4.1689 8.3421 118.9066 58.1121 41.4263 179.7309 27 T 3.9788 8.2883 115.9990 66.4484 68.3472 176.8132 28 L 4.2229 7.9998 120.7965 57.7408 41.6080 178.7847 29 Y 3.2042 8.3681 119.6529 60.5409 38.7420 178.1701 30 I 3.6384 8.1137 120.8689 64.3616 37.1082 178.4121 31 I 3.7270 7.7659 120.5617 64.6997 37.1150 177.8985 32 Y 4.1300 8.1424 120.2400 60.9269 38.7113 177.9250 33 M 3.9635 8.2431 120.1059 58.2241 32.0291 178.9300 34 V 3.8086 8.4316 119.0036 65.4902 31.3919 178.2047 35 G 3.6381 8.0903 105.4316 47.8121 0.0000 174.8640 36 F 3.9914 7.7562 123.2159 60.8289 39.0530 176.9251 37 F 3.4787 8.0053 115.3662 60.5830 38.9562 177.5505 38 A 4.2423 8.1060 118.3335 53.6749 19.4729 177.8853 39 T 4.5605 7.3362 106.8533 59.4467 68.6104 173.0424 40 S 4.3480 7.4786 116.9683 57.9096 68.8601 177.0102 41 G 3.6279 7.5018 108.1358 45.7884 0.0000 175.4557 42 E 3.8654 9.0069 129.5535 56.5325 29.0000 177.3223 43 L 4.3731 8.0094 127.9628 53.6073 40.4759 177.3721 44 T 4.2100 7.4540 111.5233 61.1434 70.3075 175.9800 45 Y 4.3138 8.7603 123.2470 60.3706 38.7619 177.7450 46 E 4.1002 8.1858 119.3014 58.6218 30.1354 178.0245 47 V 3.8629 7.6598 112.0578 63.3469 31.5010 178.4942 48 W 4.4130 8.2662 128.6814 60.7255 30.4839 178.0514 49 I 3.6294 7.3688 116.7157 63.5368 37.5494 177.8622 50 G 3.6827 7.9288 106.6033 47.5801 0.0000 175.3166 51 F 4.0167 7.8420 123.5387 60.9766 39.1208 176.5235 52 F 3.8822 7.4083 113.1063 57.9610 38.8908 176.6763 53 A 4.2406 7.3355 120.5666 52.6386 19.4986 178.1326 54 S 3.9728 7.1038 111.5912 58.5536 63.1387 174.9678 55 A 3.9333 8.7591 129.0013 55.2495 18.1135 179.5628 56 F 3.8177 8.1564 118.5770 61.8003 39.5062 177.4244 57 T 3.8261 7.7732 114.7841 66.2781 68.2363 176.7044 58 K 3.8166 8.0324 120.5726 59.4671 32.1495 179.5145 59 V 3.4021 7.7557 118.2507 66.0692 31.4958 177.5922 60 F 4.1117 7.8838 120.3295 61.7957 39.0086 177.3646 61 T 3.5101 7.9567 115.1442 66.4025 68.2867 176.9036 62 L 3.7871 7.7954 120.9001 57.5594 41.6054 179.0213 63 L 4.0220 8.3994 120.4756 58.4781 41.9163 179.0348 64 A 3.9201 7.9271 120.4274 54.9947 18.1102 179.6792 65 L 3.9253 7.7998 117.6045 57.7481 41.6796 179.5284 66 F 4.1128 8.3039 117.8419 60.8431 38.8336 177.6679 67 S 4.2498 8.2179 114.6260 61.8847 62.5416 177.0831 68 I 3.7737 7.9188 122.2347 64.2223 37.0227 177.7775 69 L 4.0963 8.0547 121.2953 58.7463 41.8224 179.1943 70 I 3.8689 7.9926 119.1354 64.5795 37.2001 177.6462 71 H 4.0389 8.6975 119.0219 59.6443 29.6724 177.1803 72 A 4.1604 8.9208 123.0153 54.7175 18.1944 179.3684 73 W 4.5373 8.2887 126.5320 60.8631 31.0093 177.9200 74 I 3.2522 7.7566 119.8220 64.3222 36.7255 178.5001 75 G 3.5971 7.9938 105.9312 48.3265 0.0000 175.6386 76 M 4.1703 8.4723 122.2416 57.4750 31.8835 178.7650 77 W 3.8354 7.9203 128.6687 60.3322 30.5377 177.9748 78 Q 3.5698 7.7360 116.3525 58.7910 28.4627 178.6968 79 V 3.5745 7.4679 118.5767 66.1067 31.6088 177.8616 80 L 3.9995 7.9124 118.8910 57.9751 41.3014 178.9627 81 T 3.8808 7.0241 106.0433 62.4741 68.8557 175.4209 82 D 4.2700 7.2487 121.8862 56.1654 41.6081 176.7008 83 Y 4.5122 7.2582 114.3397 59.1730 39.1920 176.0329 84 V 4.0480 7.9025 121.1082 61.4078 30.3675 175.8864 85 K 4.0536 8.4384 125.2610 58.5497 32.7368 176.9736 86 P 4.2341 0.0000 0.0000 62.7664 32.3278 176.7304 87 L 3.9405 8.6607 124.0522 58.5679 42.1595 178.3588 88 A 3.9668 8.1002 119.9776 55.2959 18.2834 178.7823 89 L 3.8948 7.9606 116.9589 58.3564 42.0107 179.6196 90 R 3.9173 7.9665 117.9913 59.4349 30.1339 178.3193 91 L 4.0645 8.1050 118.8616 58.1475 41.5807 179.5105 92 M 4.0836 8.1835 118.4285 58.5215 31.8760 178.8326 93 L 4.0662 8.0543 119.0243 57.9529 41.6712 179.6731 94 Q 4.2264 8.5649 118.3591 58.6435 28.5498 178.4130 95 L 3.8365 8.0671 121.4855 58.2483 42.1609 178.8879 96 V 3.5220 7.7115 117.9615 66.2836 31.4553 177.6401 97 I 3.6749 8.0688 119.4077 64.6463 37.0309 178.6221 98 V 3.2337 7.9270 118.8489 65.9315 31.3403 178.0246 99 V 3.4744 7.8280 118.0096 65.9947 31.1599 177.6616 100 A 3.7963 8.3986 120.4697 55.2717 18.0120 179.6403 101 L 3.4042 7.4638 117.2815 57.7487 41.6293 180.0370 102 V 3.5341 8.1098 118.6779 65.6457 31.3381 178.1331 103 V 3.6098 8.0598 118.4375 66.3622 31.3764 177.3042 104 Y 4.6023 8.1656 116.6197 61.5969 37.7869 179.4040 105 V 3.5632 7.6609 118.5915 65.9497 31.7003 178.2010 106 I 3.8134 7.9862 119.6519 64.6654 37.0155 177.8535 107 Y 4.3385 9.1247 121.6045 60.5372 38.4704 178.3822 108 G 3.4725 8.2702 107.0010 47.6997 0.0000 175.7323 109 F 3.9009 8.2368 120.2043 60.0518 38.4111 177.8852 110 V 3.7913 7.6431 117.7228 65.4651 31.2304 178.2498 111 V 3.2659 7.2137 116.8247 66.2029 31.4914 178.1615 112 V 3.8108 7.7419 113.2199 64.4740 31.5689 178.9579 *113 W 4.2468 7.5403 120.8845 60.4007 28.7195 179.3402 114 G 4.2850 7.3834 107.6194 44.9797 0.0000 173.9059 115 V 3.9583 7.3414 122.8827 62.8845 31.7967 174.2144 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 11 N 8.27 4.72 0.00 2.96 3.03 0.00 0.00 6.02 6.17 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 12 G 8.40 3.46 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 0.00 0.00 0.00 13 V 8.07 3.64 2.22 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 1.04 0.00 0.00 0.88 0.00 0.00 14 H 8.94 4.17 0.00 3.30 3.45 0.00 5.67 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 15 D 7.85 4.26 0.00 2.91 2.68 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 16 F 8.36 4.03 0.00 3.27 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 17 I 8.02 3.79 2.07 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 1.74 0.84 0.96 0.00 0.00 18 L 8.20 3.93 0.00 1.64 1.67 0.74 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.81 3.53 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 0.88 0.00 0.00 0.78 0.00 0.00 20 R 7.56 3.93 0.00 1.80 1.86 0.00 2.30 0.00 0.00 2.72 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.37 0.00 21 A 8.21 4.00 1.39 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 0.00 0.00 22 T 8.14 3.90 4.43 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 1.29 0.00 0.00 23 A 8.07 3.97 1.47 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 24 I 7.63 3.71 2.02 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 1.43 1.24 0.95 0.00 0.00 25 V 7.74 3.67 2.28 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 1.14 0.00 0.00 0.95 0.00 0.00 26 L 8.34 4.17 0.00 1.80 1.77 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.29 3.98 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 28 L 8.00 4.22 0.00 2.22 2.08 1.00 0.63 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 29 Y 8.37 3.20 0.00 2.94 3.09 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 30 I 8.11 3.64 2.00 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 1.57 0.47 0.92 0.00 0.00 31 I 7.77 3.73 2.12 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 1.46 0.90 1.00 0.00 0.00 32 Y 8.14 4.13 0.00 3.25 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 33 M 8.24 3.96 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.87 0.00 34 V 8.43 3.81 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 1.09 0.00 0.00 0.92 0.00 0.00 35 G 8.09 3.64 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 0.00 0.00 0.00 36 F 7.76 3.99 0.00 2.53 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.01 3.48 0.00 3.06 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 38 A 8.11 4.24 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 39 T 7.34 4.56 4.14 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 1.15 0.00 0.00 40 S 7.48 4.35 0.00 3.42 3.11 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 0.00 41 G 7.50 3.63 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 0.00 0.00 0.00 42 E 9.01 3.87 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 43 L 8.01 4.37 0.00 1.57 1.55 0.82 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.45 4.21 4.33 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 1.25 0.00 0.00 45 Y 8.76 4.31 0.00 3.17 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 46 E 8.19 4.10 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 47 V 7.66 3.86 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 0.87 0.00 0.00 1.19 0.00 0.00 48 W 8.27 4.41 0.00 3.40 3.03 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 49 I 7.37 3.63 1.37 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 1.33 0.76 0.78 0.00 0.00 50 G 7.93 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 0.00 0.00 0.00 51 F 7.84 4.02 0.00 2.75 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 F 7.41 3.88 0.00 2.61 2.78 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 0.00 0.00 0.00 53 A 7.34 4.24 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 54 S 7.10 3.97 0.00 3.78 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 55 A 8.76 3.93 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 56 F 8.16 3.82 0.00 3.13 3.03 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 57 T 7.77 3.83 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 0.05 0.00 0.00 58 K 8.03 3.82 0.00 1.85 1.77 0.00 1.61 0.00 0.00 1.52 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.50 7.81 59 V 7.76 3.40 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 0.66 0.00 0.00 0.86 0.00 0.00 60 F 7.88 4.11 0.00 2.67 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 61 T 7.96 3.51 4.48 0.00 0.00 0.00 0.00 0.00 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 62 L 7.80 3.79 0.00 1.53 1.52 0.36 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.40 4.02 0.00 1.68 1.93 0.85 1.02 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 64 A 7.93 3.92 0.52 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 65 L 7.80 3.93 0.00 1.73 1.59 0.82 0.90 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 66 F 8.30 4.11 0.00 3.26 3.09 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 67 S 8.22 4.25 0.00 4.13 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 68 I 7.92 3.77 2.12 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 1.47 1.12 1.08 0.00 0.00 69 L 8.05 4.10 0.00 1.79 2.09 0.89 0.95 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 70 I 7.99 3.87 1.97 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 1.52 0.80 0.97 0.00 0.00 71 H 8.70 4.04 0.00 3.32 3.46 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.92 4.16 1.54 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 73 W 8.29 4.54 0.00 3.47 3.38 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 0.00 74 I 7.76 3.25 1.90 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 1.20 0.85 0.80 0.00 0.00 75 G 7.99 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 M 8.47 4.17 0.00 2.15 2.40 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.93 0.00 77 W 7.92 3.84 0.00 2.14 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 7.74 3.57 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.70 0.00 0.00 0.00 0.00 0.00 2.63 2.78 0.00 79 V 7.47 3.57 2.25 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 1.28 0.00 0.00 0.99 0.00 0.00 80 L 7.91 4.00 0.00 1.69 1.63 1.05 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 81 T 7.02 3.88 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 0.08 0.00 0.00 82 D 7.25 4.27 0.00 1.85 1.70 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 83 Y 7.26 4.51 0.00 2.96 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 84 V 7.90 4.05 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 0.79 0.00 0.00 0.98 0.00 0.00 85 K 8.44 4.05 0.00 1.79 1.84 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.39 7.81 86 P 0.00 4.23 0.00 2.16 2.01 0.00 3.61 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 2.12 2.16 0.00 87 L 8.66 3.94 0.00 1.77 1.68 0.96 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 88 A 8.10 3.97 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 89 L 7.96 3.89 0.00 1.78 1.72 0.94 0.81 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 90 R 7.97 3.92 0.00 2.10 1.93 0.00 3.07 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 91 L 8.10 4.06 0.00 1.91 1.76 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 92 M 8.18 4.08 0.00 2.06 2.28 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.88 0.00 93 L 8.05 4.07 0.00 1.91 1.78 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 8.56 4.23 0.00 2.41 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 3.09 2.64 0.00 95 L 8.07 3.84 0.00 1.86 1.86 0.86 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.71 3.52 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.99 0.00 0.00 97 I 8.07 3.67 2.17 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 1.48 0.91 1.13 0.00 0.00 98 V 7.93 3.23 1.81 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 0.60 0.00 0.00 -0.17 0.00 0.00 99 V 7.83 3.47 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 0.99 0.00 0.00 0.93 0.00 0.00 100 A 8.40 3.80 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 0.00 101 L 7.46 3.40 0.00 1.81 1.65 1.14 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 102 V 8.11 3.53 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 0.95 0.00 0.00 0.86 0.00 0.00 103 V 8.06 3.61 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 1.07 0.00 0.00 0.96 0.00 0.00 104 Y 8.17 4.60 0.00 3.29 3.03 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 0.00 105 V 7.66 3.56 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 0.65 0.00 0.00 0.71 0.00 0.00 106 I 7.99 3.81 1.94 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 1.37 1.12 0.94 0.00 0.00 107 Y 9.12 4.34 0.00 3.05 3.11 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 0.00 108 G 8.27 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 0.00 109 F 8.24 3.90 0.00 3.43 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 0.00 110 V 7.64 3.79 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.97 0.00 0.00 111 V 7.21 3.27 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 0.69 0.00 0.00 0.24 0.00 0.00 112 V 7.74 3.81 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 0.71 0.00 0.00 0.82 0.00 0.00 *113 W 7.54 4.25 0.00 2.67 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 0.00 0.00 0.00 0.00 114 G 7.38 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 0.00 0.00 0.00 0.00 115 V 7.34 3.96 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 0.81 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.