NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.9227 8.3716 117.1838 51.8133 39.3545 172.6063 3 L 4.0927 8.3466 117.4276 55.6122 42.2160 174.9072 4 P 4.4548 0.0000 0.0000 63.2639 32.8869 176.3069 5 T 4.3081 8.5762 111.9157 60.7059 71.2679 175.6838 6 A 4.0386 8.5915 123.3556 55.9670 18.0331 180.1436 7 Q 3.9657 8.0020 115.5815 59.0150 28.7307 178.6255 8 E 3.9292 7.9188 119.3053 58.9730 29.5678 179.2711 9 V 3.1434 7.8514 118.5930 65.9420 31.5336 178.1088 10 Q 4.1117 7.9358 117.5380 58.9409 28.5319 179.1003 11 G 3.5710 7.7860 106.7319 47.6990 0.0000 175.8443 12 L 4.0022 8.1574 121.7979 57.8730 41.4745 179.5605 13 M 4.1781 8.2798 118.4905 58.2398 31.7630 178.7082 14 A 4.0190 8.1195 121.1741 54.9558 18.4932 179.6147 15 R 3.8203 8.1145 117.4100 59.7804 30.1578 178.0370 16 Y 3.9908 8.1792 119.3666 60.8967 38.8742 178.2808 17 I 3.5438 7.6677 120.6181 63.5860 37.2211 178.1113 18 E 3.8273 7.7062 120.7603 59.1993 29.4890 178.5459 19 L 3.8671 7.8015 119.0146 58.0428 41.5141 179.9185 20 V 3.4010 7.1026 116.4245 65.7574 31.3882 177.2627 21 D 4.4009 7.6251 116.8955 57.2519 41.2112 178.1651 22 V 3.9102 7.5660 110.7008 61.5089 31.7484 176.9115 23 G 3.7674 7.9062 106.4201 46.8954 0.0000 174.8179 24 D 4.5567 7.6968 120.6948 52.5461 39.6876 175.6286 25 I 3.6184 7.9108 126.0177 63.9326 37.5286 177.4095 26 E 3.9582 8.0782 118.6977 59.3866 29.2142 179.0771 27 A 4.0543 7.6431 118.6230 54.8759 18.6572 179.6762 28 I 3.7435 7.4093 118.7036 64.6926 37.2569 178.6806 29 V 3.8886 7.7395 119.0038 66.1141 31.0679 177.3093 30 Q 4.2485 7.7886 116.9030 58.0536 29.3141 177.0520 31 M 4.2864 8.6272 119.4981 56.9890 32.0268 175.8725 32 Y 4.5559 7.1329 115.8317 56.6492 39.5817 174.9360 33 A 4.4715 8.2722 124.5210 51.3301 19.8412 178.5291 34 D 4.5075 8.8473 119.8008 55.9802 39.3138 177.3502 35 D 5.1019 7.7857 117.7082 52.5610 40.2560 176.1806 36 A 4.8327 8.2108 121.7544 52.8392 20.2467 177.0940 37 T 5.0962 8.2943 107.1229 60.2694 72.5902 173.1900 38 V 4.7220 8.7510 122.8365 61.2996 35.3282 174.3799 39 E 4.6632 8.9060 125.6159 54.5367 32.0441 173.8770 40 D 5.0432 8.1233 123.6548 52.0272 44.0516 172.9090 41 P 4.6442 0.0000 0.0000 61.8022 33.2361 175.3054 42 F 3.9696 8.7482 124.3090 59.4619 39.1385 175.0081 43 G 3.5604 7.8448 112.5167 45.2517 0.0000 173.2210 44 Q 4.4365 7.0097 120.0364 52.9047 31.1001 173.2120 45 P 4.2664 0.0000 0.0000 62.1660 31.7569 174.3765 46 P 4.7628 0.0000 0.0000 62.7399 32.6244 175.1142 47 I 4.4295 8.3783 115.2162 59.4796 39.9450 173.6898 48 H 5.1359 9.0157 125.2827 55.4555 32.0256 174.0813 49 G 4.0672 8.7320 112.0830 45.4196 0.0000 174.6976 50 R 3.8814 8.5045 119.6959 58.9267 29.9905 178.9008 51 E 3.8995 8.2495 118.6064 59.7914 29.5938 178.8229 52 Q 4.0376 8.0195 117.1151 59.1499 28.7917 178.9446 53 I 3.9075 8.0605 120.6774 64.1261 36.9950 178.3252 54 A 4.0963 8.7252 121.9428 55.0246 18.2180 179.4097 55 A 3.9317 8.0233 119.2422 55.4798 18.1512 179.3590 56 F 4.0480 8.7732 119.3372 61.9920 38.8297 176.8812 57 Y 3.4102 8.2586 115.9356 60.1705 37.5284 177.9532 58 R 3.9192 8.0637 119.5917 59.3762 30.2824 177.8176 59 Q 4.1338 7.8609 118.5049 59.1534 29.0615 178.2545 60 G 3.5918 7.2766 104.8362 44.8621 0.0000 173.5949 61 L 4.5570 6.8408 119.3301 52.7469 44.4245 176.8970 *65 K 4.0600 8.3004 123.7624 56.7553 33.0507 174.6186 66 V 4.8642 7.4478 117.6564 61.1017 35.3066 175.2547 67 R 4.9286 8.3276 119.2458 54.5118 32.8105 173.8500 68 A 5.9400 9.0914 122.5475 49.3659 22.1027 174.9984 69 C 4.9483 8.5724 114.4050 56.3359 33.8416 172.8938 70 L 4.8715 8.6007 120.2912 54.3322 42.1660 176.9441 71 T 4.5276 8.2628 112.8065 60.4566 69.0194 173.9074 72 G 4.0041 7.4578 109.5423 44.8544 0.0000 171.6934 73 P 4.3798 0.0000 0.0000 62.4755 31.8343 175.8759 74 V 4.1367 8.1465 119.4828 62.2854 32.3338 174.9922 75 A 4.5181 8.8595 130.5448 51.2047 19.6588 175.8862 76 A 5.1851 8.6278 123.9927 50.3412 22.5285 175.0946 77 S 4.8046 8.4414 114.5627 57.1257 65.8364 173.4952 78 H 4.7694 8.8722 115.1588 56.1694 28.9932 175.1134 79 N 4.8622 7.8361 117.1833 52.6605 37.6932 175.1981 80 G 3.9519 8.3752 104.8579 47.6620 0.0000 173.2637 81 C 5.4180 7.7669 115.3725 57.9664 32.4743 173.2238 82 G 4.5615 8.6705 106.1762 45.8055 0.0000 171.9597 83 A 5.4811 8.9595 121.8428 50.7884 23.3856 175.0305 84 M 5.1086 9.0890 115.0662 53.8197 35.0973 171.8402 85 P 5.5226 0.0000 0.0000 61.8807 33.9286 174.1415 86 F 5.2777 8.5718 115.7220 56.1708 41.8167 172.4965 87 R 4.9064 9.0184 120.4622 54.5658 32.9850 174.6381 88 V 4.6881 9.0259 126.1275 61.3541 34.0199 174.1913 89 E 4.9456 9.1027 129.3039 55.5445 30.7169 174.4282 90 M 4.8530 8.3855 127.7140 54.7273 34.8168 176.3338 91 V 4.5259 8.1401 115.3029 62.5057 32.6358 172.4315 92 W 4.6741 10.0035 135.0000 57.3823 31.4197 176.2939 93 N 4.0560 10.2984 125.6690 54.3017 35.5043 173.2784 94 G 4.1822 8.2305 106.9486 45.2606 0.0000 172.8351 95 Q 4.3445 8.1496 122.1083 53.8966 29.7754 172.5862 96 P 5.0289 0.0000 0.0000 62.8891 32.4358 175.1211 97 C 5.2073 8.7172 115.9048 56.5624 34.0018 172.3057 98 A 5.1875 9.0661 119.8304 50.0407 22.4639 174.8407 99 L 4.9416 9.0644 122.1806 53.2945 45.5473 174.8451 100 D 5.0258 8.4588 125.8776 52.8422 42.2779 175.9511 101 V 4.6277 8.1256 123.2322 60.9354 35.6762 174.1819 102 I 5.0548 8.3924 122.7073 59.7912 40.6901 174.3761 103 D 5.6279 9.2726 127.2257 52.7605 43.7042 175.7428 104 V 4.7940 8.9095 121.8832 61.5284 34.3855 174.2159 105 M 5.2005 8.9821 126.9517 53.4014 36.0670 174.6479 106 R 4.9220 8.3931 120.9905 54.7680 33.0815 174.6790 107 F 5.1829 9.4924 125.7227 56.5212 41.1831 175.0346 108 D 4.9319 8.7805 121.1752 51.4849 41.6122 176.9293 109 E 4.1961 8.6031 114.5279 58.1729 29.1929 177.2941 110 H 4.7760 9.0319 115.9321 55.5056 30.1290 174.8585 111 G 3.8879 8.7014 108.0148 45.6010 0.0000 173.5785 112 R 4.7099 7.9462 117.7821 54.1531 32.2869 175.7383 113 I 3.7522 8.0285 121.3988 61.0062 37.1711 176.7939 114 Q 4.0285 9.1296 130.8028 58.9742 30.1652 175.8948 115 T 5.1076 7.5546 112.1024 60.7496 71.2650 171.9803 116 M 5.2614 8.8837 126.7860 53.9846 36.1434 174.1446 117 Q 5.0813 9.0270 122.5867 54.3804 33.5672 173.5184 118 A 5.3049 9.3886 126.1371 50.4604 22.0789 174.7924 119 Y 4.8648 8.9915 120.6705 56.4877 39.9962 175.0395 120 W 4.9803 8.5508 119.6466 57.4703 30.9437 173.4083 121 S 4.1303 8.1375 113.2189 58.0039 64.4592 175.1260 122 E 4.3623 8.7620 118.6089 58.2655 29.0408 178.2366 123 V 3.9551 7.6007 111.8242 62.7763 31.7288 176.3127 124 N 4.9192 8.3284 116.3848 52.8688 39.9805 174.3360 125 L 4.5224 7.8944 121.4643 54.6162 43.5868 176.4515 126 S 4.6891 9.2719 121.5595 56.7241 65.6903 174.7860 127 V 4.0494 8.3122 123.1865 61.5503 31.4015 176.0202 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 N 8.37 4.92 0.00 2.76 2.73 0.00 0.00 6.65 6.90 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 3 L 8.35 4.09 0.00 1.66 1.62 0.95 0.61 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 4 P 0.00 4.45 0.00 1.84 1.71 0.00 3.73 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.86 0.00 5 T 8.58 4.31 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 1.25 0.00 0.00 6 A 8.59 4.04 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 7 Q 8.00 3.97 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 8 E 7.92 3.93 0.00 1.84 1.87 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 2.26 2.41 0.00 9 V 7.85 3.14 2.17 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 1.17 0.00 0.00 0.79 0.00 0.00 10 Q 7.94 4.11 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 11 G 7.79 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.16 4.00 0.00 1.56 1.71 -0.11 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 13 M 8.28 4.18 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 2.67 0.00 14 A 8.12 4.02 1.38 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 0.00 0.00 15 R 8.11 3.82 0.00 2.06 2.13 0.00 3.10 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 16 Y 8.18 3.99 0.00 3.02 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 17 I 7.67 3.54 1.93 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.99 0.83 0.00 0.00 18 E 7.71 3.83 0.00 2.18 1.90 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 2.28 2.36 0.00 19 L 7.80 3.87 0.00 1.62 1.54 0.89 0.64 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 20 V 7.10 3.40 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 0.75 0.00 0.00 0.38 0.00 0.00 21 D 7.63 4.40 0.00 2.84 2.76 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 0.00 0.00 0.00 22 V 7.57 3.91 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 0.75 0.00 0.00 1.01 0.00 0.00 23 G 7.91 3.77 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 0.00 24 D 7.70 4.56 0.00 2.68 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 25 I 7.91 3.62 1.86 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 1.66 0.71 0.93 0.00 0.00 26 E 8.08 3.96 0.00 2.00 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 2.40 2.38 0.00 27 A 7.64 4.05 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 28 I 7.41 3.74 1.73 0.00 0.00 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 1.11 0.54 0.29 0.00 0.00 29 V 7.74 3.89 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 1.05 0.00 0.00 1.00 0.00 0.00 30 Q 7.79 4.25 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 31 M 8.63 4.29 0.00 2.02 2.25 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.60 0.00 32 Y 7.13 4.56 0.00 3.21 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 33 A 8.27 4.47 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 D 8.85 4.51 0.00 2.94 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 35 D 7.79 5.10 0.00 2.76 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 36 A 8.21 4.83 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.29 5.10 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 1.24 0.00 0.00 38 V 8.75 4.72 1.72 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 0.56 0.00 0.00 0.79 0.00 0.00 39 E 8.91 4.66 0.00 1.95 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 2.14 2.10 0.00 40 D 8.12 5.04 0.00 2.66 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 41 P 0.00 4.64 0.00 1.31 0.49 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.25 0.00 42 F 8.75 3.97 0.00 2.49 2.49 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 43 G 7.84 3.56 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 0.00 0.00 0.00 44 Q 7.01 4.44 0.00 2.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.80 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 45 P 0.00 4.27 0.00 2.14 1.97 0.00 3.71 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.89 0.00 46 P 0.00 4.76 0.00 2.04 2.01 0.00 3.65 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 1.93 1.90 0.00 47 I 8.38 4.43 1.78 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.10 0.72 0.00 0.00 48 H 9.02 5.14 0.00 3.10 3.16 0.00 5.89 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.73 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 0.00 0.00 0.00 50 R 8.50 3.88 0.00 1.93 2.02 0.00 3.19 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.77 0.00 51 E 8.25 3.90 0.00 2.04 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 2.40 2.44 0.00 52 Q 8.02 4.04 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 53 I 8.06 3.91 1.85 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 1.16 0.52 0.89 0.00 0.00 54 A 8.73 4.10 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 55 A 8.02 3.93 1.45 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 56 F 8.77 4.05 0.00 2.98 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 57 Y 8.26 3.41 0.00 3.04 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 58 R 8.06 3.92 0.00 1.98 1.95 0.00 3.29 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 59 Q 7.86 4.13 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 60 G 7.28 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.84 4.56 0.00 1.61 1.53 0.96 0.86 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 *65 K 8.30 4.06 0.00 1.74 1.81 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.38 7.81 66 V 7.45 4.86 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 0.89 0.00 0.00 0.89 0.00 0.00 67 R 8.33 4.93 0.00 2.26 1.94 0.00 2.76 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 68 A 9.09 5.94 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 69 C 8.57 4.95 0.00 2.99 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 70 L 8.60 4.87 0.00 1.60 1.70 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.26 4.53 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 1.26 0.00 0.00 72 G 7.46 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 73 P 0.00 4.38 0.00 2.20 2.08 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 74 V 8.15 4.14 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 0.85 0.00 0.00 0.97 0.00 0.00 75 A 8.86 4.52 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 76 A 8.63 5.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.44 4.80 0.00 3.86 3.87 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 H 8.87 4.77 0.00 3.17 3.35 0.00 5.67 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 7.84 4.86 0.00 2.80 2.90 0.00 0.00 6.93 6.89 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 80 G 8.38 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 0.00 0.00 0.00 81 C 7.77 5.42 0.00 2.87 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 82 G 8.67 4.56 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 0.00 0.00 0.00 83 A 8.96 5.48 1.19 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 84 M 9.09 5.11 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.62 0.00 85 P 0.00 5.52 0.00 2.18 2.24 0.00 3.93 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.99 0.00 86 F 8.57 5.28 0.00 3.37 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 87 R 9.02 4.91 0.00 2.05 1.81 0.00 3.05 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 88 V 9.03 4.69 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 0.73 0.00 0.00 0.99 0.00 0.00 89 E 9.10 4.95 0.00 1.96 1.88 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 2.25 2.24 0.00 90 M 8.39 4.85 0.00 1.96 2.13 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.80 0.00 91 V 8.14 4.53 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 0.75 0.00 0.00 0.96 0.00 0.00 92 W 10.00 4.67 0.00 3.36 3.18 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 0.00 0.00 0.00 0.00 93 N 10.30 4.06 0.00 2.32 2.59 0.00 0.00 7.32 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 94 G 8.23 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.15 4.34 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.96 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 96 P 0.00 5.03 0.00 2.14 2.07 0.00 3.79 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 97 C 8.72 5.21 0.00 3.18 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 98 A 9.07 5.19 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 99 L 9.06 4.94 0.00 1.40 1.17 0.89 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.46 5.03 0.00 2.56 2.54 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 0.00 101 V 8.13 4.63 0.99 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 1.14 0.00 0.00 0.48 0.00 0.00 102 I 8.39 5.05 1.97 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 1.25 0.87 0.94 0.00 0.00 103 D 9.27 5.63 0.00 2.96 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 0.00 104 V 8.91 4.79 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 1.01 0.00 0.00 0.95 0.00 0.00 105 M 8.98 5.20 0.00 1.32 1.62 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.14 0.00 106 R 8.39 4.92 0.00 1.82 1.66 0.00 3.08 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 107 F 9.49 5.18 0.00 2.87 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 0.00 108 D 8.78 4.93 0.00 2.89 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 0.00 109 E 8.60 4.20 0.00 2.04 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 2.07 2.17 0.00 110 H 9.03 4.78 0.00 3.25 3.37 0.00 5.87 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 0.00 111 G 8.70 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 0.00 112 R 7.95 4.71 0.00 2.26 1.90 0.00 3.32 0.00 0.00 3.39 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 113 I 8.03 3.75 1.07 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 1.01 0.46 0.00 0.00 114 Q 9.13 4.03 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 115 T 7.55 5.11 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 1.20 0.00 0.00 116 M 8.88 5.26 0.00 2.27 1.94 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.61 0.00 117 Q 9.03 5.08 0.00 2.08 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.55 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 118 A 9.39 5.30 1.58 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 0.00 0.00 119 Y 8.99 4.86 0.00 2.95 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 0.00 120 W 8.55 4.98 0.00 3.33 2.97 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 0.00 121 S 8.14 4.13 0.00 3.86 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 0.00 122 E 8.76 4.36 0.00 2.02 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 0.00 2.38 2.47 0.00 123 V 7.60 3.96 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 0.69 0.00 0.00 0.98 0.00 0.00 124 N 8.33 4.92 0.00 3.01 3.03 0.00 0.00 6.46 6.02 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 0.00 125 L 7.89 4.52 0.00 1.76 1.63 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 126 S 9.27 4.69 0.00 3.76 3.77 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 0.00 127 V 8.31 4.05 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 0.81 0.00 0.00 1.17 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.