NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.3637 8.4444 116.7549 56.0185 31.2416 174.4499 6 E 4.2728 8.7955 125.0550 54.3167 30.8872 174.0054 7 P 4.4349 0.0000 0.0000 62.0384 32.9256 175.2945 8 S 4.3211 8.4924 114.4139 58.8939 62.7869 174.5526 9 D 4.8119 9.3096 128.3131 52.0334 42.2702 177.1350 10 L 4.0085 8.1644 119.7111 58.6475 42.0171 178.6208 11 E 4.4484 8.0589 119.1784 59.0092 29.3547 179.0779 12 E 4.0763 9.7039 119.9141 59.2207 29.4296 179.1122 13 L 4.0393 8.2872 120.6407 58.1872 42.0123 178.8738 14 E 3.9490 8.3838 118.6641 59.3161 29.2751 179.1853 15 Q 3.9908 8.0086 119.2885 59.0488 29.1648 177.7900 16 F 4.1412 8.7106 121.8665 61.3222 39.4296 176.8937 17 A 4.1696 8.5715 120.6953 55.0661 18.1648 179.6859 18 K 3.8998 8.0428 116.8112 60.0075 32.1543 179.6074 19 T 3.8340 8.1956 116.1620 66.5821 68.3387 176.2774 20 F 3.8311 8.4697 122.7358 61.3260 39.3816 177.1330 21 K 4.2187 8.3426 119.1115 59.5213 31.9772 178.8185 22 Q 3.9858 8.2031 118.4475 58.9589 28.5993 178.7231 23 R 3.8704 8.1151 119.8170 59.2494 30.1213 178.3685 24 R 4.2180 8.0516 118.6213 59.7860 30.1150 178.6260 25 I 3.7797 7.8397 119.4419 64.2707 36.8753 178.4655 26 K 3.9474 8.3055 118.7134 59.5003 32.0507 178.7175 27 L 4.2424 8.1889 116.5748 54.9026 41.7163 177.7421 28 G 3.7053 7.7913 107.0867 45.8915 0.0000 173.3409 29 F 4.8620 7.9340 117.6161 56.0155 40.7619 176.7026 30 T 4.4428 8.5824 115.1950 60.8185 71.3910 175.9245 31 Q 4.0820 8.5875 121.4998 59.1198 28.9360 178.2776 32 G 3.6148 8.0592 106.3855 47.8148 0.0000 174.9719 33 D 4.4357 8.3656 121.8827 57.2734 40.9205 179.2973 34 V 3.1482 7.6254 118.2544 65.7714 31.4152 178.2092 35 G 4.0733 7.9411 106.7392 47.2944 0.0000 175.6936 36 L 3.9897 8.2254 121.2626 57.5449 41.6128 179.4020 37 A 4.0425 8.2752 121.0012 55.4384 18.3963 179.5508 38 M 4.4379 8.4145 117.4954 58.5069 32.1234 179.3055 39 G 3.5580 7.9083 105.4163 47.7131 0.0000 175.9358 40 K 3.9754 7.9035 120.0407 58.8173 32.1293 178.8325 41 L 4.0696 8.2864 118.0435 55.6928 41.8333 177.0736 42 Y 4.7605 7.6369 113.3326 57.2820 39.0789 177.0100 43 G 3.9987 9.1670 108.1717 45.4223 0.0000 174.2917 44 N 4.6491 7.6137 116.8067 50.8259 37.7202 173.6238 45 D 4.8158 8.0405 124.8076 53.7638 40.9952 175.5961 46 F 4.9853 8.7393 117.9396 55.5769 43.4410 174.9269 47 S 4.7104 8.6498 115.7866 57.7676 64.6078 174.8371 48 Q 3.9665 8.8241 120.9813 59.6962 28.5927 178.4724 49 T 3.8848 7.9498 116.1680 67.1857 68.4705 176.4828 50 T 3.9245 7.8738 117.0359 66.5909 68.4036 176.9599 51 I 3.5971 7.7686 121.7805 64.3669 37.2317 178.5813 52 S 4.7690 8.3798 117.6701 61.2183 62.6186 177.0911 53 R 3.9443 8.3354 120.9730 59.0208 29.7984 178.8204 54 F 3.8764 8.5454 120.8316 61.5022 39.2225 177.1701 55 E 4.0937 8.4474 116.2290 58.5269 29.3093 178.1520 56 A 4.4427 7.6726 117.8686 50.6740 19.6200 176.5331 57 L 3.4312 7.4535 115.9461 55.6915 40.2647 174.7171 58 N 4.7433 8.1157 113.0344 52.6026 38.1389 174.5631 59 L 4.7181 7.1432 116.1377 52.0442 46.5917 177.0735 60 S 4.4378 8.3029 115.1237 58.1133 65.1326 175.0011 61 F 4.0955 8.7082 124.0706 61.1414 38.9905 177.0562 62 K 3.7069 8.1100 118.9668 59.5343 32.0242 178.1467 63 N 4.2806 8.2342 117.1868 56.8576 38.9338 176.6951 64 M 4.0609 8.1099 119.9972 58.4531 31.7587 178.6442 65 A 3.7369 7.3410 119.9709 54.6199 18.4776 179.4235 66 K 3.9487 7.5243 118.2302 59.7970 32.3004 179.2578 67 L 3.7966 7.9561 119.1834 57.1503 41.4166 179.3444 68 K 3.5792 8.0194 119.8494 59.0391 31.8720 176.8929 69 P 4.1135 0.0000 0.0000 65.5436 31.3851 178.3091 70 L 4.0337 7.1224 117.5879 57.8240 41.6412 179.5642 71 L 4.0503 7.8898 118.6607 57.1224 41.4321 179.0469 72 E 4.4078 8.2024 119.8502 59.0172 29.5020 178.8329 73 K 3.8764 7.7228 119.0511 58.8724 31.8852 179.0376 74 W 4.3791 7.9381 129.4936 59.8224 30.5497 177.4547 75 L 3.7023 8.2098 118.8719 58.3047 41.9300 178.1730 76 N 4.3858 8.2026 116.1812 56.7460 38.3534 176.8821 77 D 4.2777 7.8612 117.6304 57.2369 41.4190 177.9138 78 A 3.6618 7.5920 122.8936 54.9314 18.1698 177.7649 *79 E 3.9893 7.4275 115.3414 55.5137 31.6026 181.5285 *110 S 4.2433 8.1874 113.7582 58.0182 63.3131 173.3928 111 I 3.9438 8.2071 128.6636 60.5514 37.9546 176.1316 112 E 4.0748 8.4466 124.8470 56.2313 31.3106 177.7644 113 T 3.8587 8.4869 121.7546 66.9269 68.6889 176.5567 114 N 4.3428 8.0161 118.3197 55.9557 37.5393 177.2533 115 I 3.6072 7.5880 121.6378 64.0018 37.1891 178.1103 116 R 3.2990 7.7673 118.8398 59.2322 29.8454 179.0861 117 V 3.5886 7.4273 111.3668 64.7001 31.6468 178.5877 118 A 3.9795 7.7480 119.5044 55.1538 18.1672 179.5132 119 L 3.8875 8.1085 117.8374 58.0745 41.6155 179.6515 120 E 4.2544 8.8563 121.1465 59.9591 29.5462 180.0983 121 K 4.0215 8.3357 123.9838 59.8959 31.6828 180.6801 122 S 4.3936 8.5944 115.0955 61.3861 62.1700 175.7255 123 F 4.7935 8.5162 123.5206 60.9218 39.0572 176.7342 124 L 4.0681 7.9596 117.1737 58.0236 41.5204 179.1536 125 E 4.2148 7.8654 116.6837 57.5400 29.8178 176.5910 126 N 4.8676 8.3021 117.7106 51.6441 41.3339 175.2308 127 Q 3.7783 8.8598 127.7855 58.6365 29.3456 177.3540 128 K 4.6556 7.8988 118.5742 51.5808 32.0447 176.4839 129 P 4.6550 0.0000 0.0000 61.8407 32.4376 178.1539 130 T 4.1918 8.2189 111.3368 61.0622 71.1579 175.3321 131 S 3.9168 8.7630 117.4538 62.3422 62.0831 176.8194 132 E 3.9417 8.0157 120.1695 61.1183 29.5918 180.7675 133 E 4.1188 8.0082 120.0928 59.4114 29.5276 179.5698 134 I 3.6547 8.3930 120.1198 64.9415 37.2571 178.4439 135 T 3.8707 8.0048 116.2735 67.0567 68.2315 176.2285 136 M 3.9925 8.0927 120.3204 58.6739 32.0503 178.5891 137 I 3.7489 8.0188 119.4276 64.8875 37.2783 178.0148 138 A 3.9631 8.3067 121.5633 54.9481 18.0351 178.8109 139 D 4.2946 7.9807 115.8697 57.5854 41.4410 178.3087 140 Q 4.1170 8.3699 116.8503 59.2766 28.3889 178.3346 141 L 4.3099 7.6971 117.5347 52.9409 43.6480 175.5408 142 N 4.1891 8.2465 117.5491 54.2424 37.0538 172.8664 143 M 4.8428 7.3487 117.0337 52.1388 36.9247 175.7492 144 E 4.1355 8.7593 124.3302 56.6088 31.6374 178.4397 145 K 3.9717 8.6630 130.8043 60.2097 31.7976 177.9384 146 E 4.1323 8.2909 120.2331 59.2890 29.4093 178.9842 147 V 3.6404 7.7990 117.5567 66.1123 31.6580 177.9778 148 I 3.9589 7.6067 119.7661 64.2202 36.9940 178.2873 149 R 4.0287 8.4462 120.0045 59.6101 29.9393 178.8199 150 V 3.6831 8.2330 118.2541 65.5492 31.4528 177.7865 151 W 4.0576 8.2996 128.3237 60.5852 30.5807 178.0695 152 F 3.8225 8.5663 117.6743 60.4617 38.3216 177.5342 153 C 4.1878 8.2746 116.5259 63.0232 27.9447 175.9344 154 N 4.2037 8.4358 118.4168 56.1505 38.0743 177.5300 155 R 3.2033 7.3705 120.2130 59.0896 29.7329 178.8315 156 R 4.1040 7.6983 117.0692 59.1974 30.3434 178.7886 157 Q 4.0922 7.9364 117.9771 58.8692 28.8258 178.6606 158 K 3.8659 8.0003 120.6896 59.3940 31.9355 178.4204 159 E 4.0453 7.8979 118.5972 58.5319 29.6593 178.0138 160 K 4.2759 7.6200 116.2958 56.2258 32.7411 177.4042 161 R 4.1789 6.9501 118.5496 55.8315 30.8013 177.0485 162 I 3.6342 8.4070 124.0301 65.1041 37.4201 176.8377 *163 N 4.5361 7.9654 119.8006 52.4744 38.1325 175.8915 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 E 8.44 4.36 0.00 2.01 1.84 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 2.13 1.88 0.00 6 E 8.80 4.27 0.00 1.99 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 2.21 2.36 0.00 7 P 0.00 4.43 0.00 2.28 2.04 0.00 3.86 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 2.08 1.99 0.00 8 S 8.49 4.32 0.00 3.83 3.83 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 D 9.31 4.81 0.00 2.89 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 10 L 8.16 4.01 0.00 1.57 1.65 0.86 0.92 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 11 E 8.06 4.45 0.00 2.06 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 2.39 2.24 0.00 12 E 9.70 4.08 0.00 2.15 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 2.37 2.78 0.00 13 L 8.29 4.04 0.00 2.03 1.68 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.38 3.95 0.00 2.26 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 2.32 2.50 0.00 15 Q 8.01 3.99 0.00 2.25 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 16 F 8.71 4.14 0.00 3.28 3.32 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 17 A 8.57 4.17 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 18 K 8.04 3.90 0.00 2.05 1.89 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.63 7.81 19 T 8.20 3.83 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 1.16 0.00 0.00 20 F 8.47 3.83 0.00 2.56 3.14 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 21 K 8.34 4.22 0.00 2.11 1.99 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.68 7.81 22 Q 8.20 3.99 0.00 2.29 2.13 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 2.54 2.52 0.00 23 R 8.12 3.87 0.00 1.94 1.83 0.00 3.11 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 24 R 8.05 4.22 0.00 1.70 2.05 0.00 3.34 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.69 0.00 25 I 7.84 3.78 2.02 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 1.55 0.90 0.92 0.00 0.00 26 K 8.31 3.95 0.00 1.87 1.87 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.59 7.81 27 L 8.19 4.24 0.00 1.94 1.82 0.94 0.96 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 28 G 7.79 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 29 F 7.93 4.86 0.00 3.28 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 30 T 8.58 4.44 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 1.32 0.00 0.00 31 Q 8.59 4.08 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 32 G 8.06 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.37 4.44 0.00 3.16 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 34 V 7.63 3.15 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 0.13 0.00 0.00 0.28 0.00 0.00 35 G 7.94 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 36 L 8.23 3.99 0.00 1.86 1.73 0.94 0.92 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 37 A 8.28 4.04 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 38 M 8.41 4.44 0.00 2.57 2.57 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.94 0.00 39 G 7.91 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 40 K 7.90 3.98 0.00 1.71 1.84 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.70 7.81 41 L 8.29 4.07 0.00 0.58 0.75 0.81 0.87 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 42 Y 7.64 4.76 0.00 3.32 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 43 G 9.17 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 44 N 7.61 4.65 0.00 2.49 2.73 0.00 0.00 6.59 8.36 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 45 D 8.04 4.82 0.00 2.65 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 46 F 8.74 4.99 0.00 2.94 2.90 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 47 S 8.65 4.71 0.00 3.92 4.01 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 48 Q 8.82 3.97 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 49 T 7.95 3.88 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 1.23 0.00 0.00 50 T 7.87 3.92 4.42 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 1.22 0.00 0.00 51 I 7.77 3.60 2.07 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.94 0.96 0.00 0.00 52 S 8.38 4.77 0.00 4.07 3.93 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 53 R 8.34 3.94 0.00 2.00 2.12 0.00 3.15 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 1.66 1.83 0.00 54 F 8.55 3.88 0.00 3.06 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 55 E 8.45 4.09 0.00 2.18 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 0.00 2.60 2.67 0.00 56 A 7.67 4.44 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 57 L 7.45 3.43 0.00 1.70 1.67 0.83 0.76 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 58 N 8.12 4.74 0.00 2.68 2.80 0.00 0.00 6.61 8.07 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 59 L 7.14 4.72 0.00 1.52 1.50 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.30 4.44 0.00 4.08 4.01 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 61 F 8.71 4.10 0.00 3.15 3.14 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 62 K 8.11 3.71 0.00 1.90 1.79 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.48 7.81 63 N 8.23 4.28 0.00 2.86 2.76 0.00 0.00 7.27 7.29 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 64 M 8.11 4.06 0.00 1.85 2.03 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.76 0.00 65 A 7.34 3.74 0.85 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 0.00 0.00 66 K 7.52 3.95 0.00 1.74 1.90 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.45 7.81 67 L 7.96 3.80 0.00 1.78 1.24 0.96 0.30 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 68 K 8.02 3.58 0.00 1.82 1.57 0.00 1.31 0.00 0.00 1.37 0.00 0.00 2.13 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.70 0.21 7.81 69 P 0.00 4.11 0.00 1.96 2.02 0.00 3.63 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.06 0.00 70 L 7.12 4.03 0.00 1.62 1.69 0.91 0.51 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 71 L 7.89 4.05 0.00 1.26 1.39 -0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.20 4.41 0.00 2.14 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 2.40 2.66 0.00 73 K 7.72 3.88 0.00 1.27 0.98 0.00 1.45 0.00 0.00 1.41 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.26 7.81 74 W 7.94 4.38 0.00 3.62 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.21 3.70 0.00 2.08 2.00 0.82 0.83 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 N 8.20 4.39 0.00 2.92 2.86 0.00 0.00 6.75 7.60 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 77 D 7.86 4.28 0.00 2.86 2.70 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 78 A 7.59 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *79 E 7.43 3.99 0.00 1.77 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 2.21 2.16 0.00 *110 S 8.19 4.24 0.00 3.85 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 0.00 111 I 8.21 3.94 1.79 0.00 0.00 0.73 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 0.65 0.61 0.00 0.00 112 E 8.45 4.07 0.00 2.02 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 2.31 2.65 0.00 113 T 8.49 3.86 4.22 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 1.20 0.00 0.00 114 N 8.02 4.34 0.00 2.87 3.04 0.00 0.00 6.21 7.35 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 0.00 115 I 7.59 3.61 1.80 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 1.56 0.46 0.71 0.00 0.00 116 R 7.77 3.30 0.00 1.99 1.92 0.00 3.12 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.70 0.00 117 V 7.43 3.59 2.08 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 0.88 0.00 0.00 0.93 0.00 0.00 118 A 7.75 3.98 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 0.00 119 L 8.11 3.89 0.00 1.30 1.10 -0.41 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.86 4.25 0.00 2.21 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 0.00 2.72 2.60 0.00 121 K 8.34 4.02 0.00 1.74 1.83 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.33 7.81 122 S 8.59 4.39 0.00 4.03 4.42 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 0.00 123 F 8.52 4.79 0.00 2.99 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 0.00 124 L 7.96 4.07 0.00 1.93 1.75 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 125 E 7.87 4.21 0.00 2.18 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 2.36 2.53 0.00 126 N 8.30 4.87 0.00 2.63 2.60 0.00 0.00 7.43 7.72 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 0.00 127 Q 8.86 3.78 0.00 1.92 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 7.04 0.00 0.00 0.00 0.00 0.00 1.16 1.66 0.00 128 K 7.90 4.66 0.00 1.74 1.56 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 1.20 7.81 129 P 0.00 4.65 0.00 1.87 1.87 0.00 3.04 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.00 130 T 8.22 4.19 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 1.23 0.00 0.00 131 S 8.76 3.92 0.00 3.90 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 0.00 132 E 8.02 3.94 0.00 2.01 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 2.31 1.97 0.00 133 E 8.01 4.12 0.00 2.16 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 2.30 2.33 0.00 134 I 8.39 3.65 2.09 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 1.36 0.56 0.95 0.00 0.00 135 T 8.00 3.87 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 1.21 0.00 0.00 136 M 8.09 3.99 0.00 2.04 2.32 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 2.65 2.79 0.00 137 I 8.02 3.75 2.09 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 1.51 0.77 1.04 0.00 0.00 138 A 8.31 3.96 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 0.00 139 D 7.98 4.29 0.00 2.71 2.84 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 0.00 140 Q 8.37 4.12 0.00 2.18 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.54 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 141 L 7.70 4.31 0.00 1.71 1.69 0.86 1.04 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 0.00 142 N 8.25 4.19 0.00 2.79 2.80 0.00 0.00 6.90 7.38 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 0.00 143 M 7.35 4.84 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 144 E 8.76 4.14 0.00 2.04 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 2.39 2.38 0.00 145 K 8.66 3.97 0.00 1.80 1.81 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.08 7.81 146 E 8.29 4.13 0.00 2.09 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 0.00 2.40 2.48 0.00 147 V 7.80 3.64 2.30 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 1.04 0.00 0.00 0.95 0.00 0.00 148 I 7.61 3.96 2.14 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.03 1.17 0.00 0.00 149 R 8.45 4.03 0.00 1.93 2.00 0.00 3.13 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 150 V 8.23 3.68 2.36 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 0.90 0.00 0.00 1.04 0.00 0.00 151 W 8.30 4.06 0.00 3.51 3.24 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 0.00 152 F 8.57 3.82 0.00 3.30 3.21 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 0.00 153 C 8.27 4.19 0.00 3.17 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 0.00 154 N 8.44 4.20 0.00 2.53 2.57 0.00 0.00 6.66 7.54 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 0.00 155 R 7.37 3.20 0.00 0.73 1.21 0.00 2.37 0.00 0.00 2.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 156 R 7.70 4.10 0.00 2.03 2.06 0.00 3.34 0.00 0.00 3.51 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 157 Q 7.94 4.09 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 158 K 8.00 3.87 0.00 1.69 1.70 0.00 1.42 0.00 0.00 1.46 0.00 0.00 2.77 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.34 7.81 159 E 7.90 4.05 0.00 2.25 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 2.49 2.47 0.00 160 K 7.62 4.28 0.00 1.93 1.84 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.76 7.81 161 R 6.95 4.18 0.00 1.97 1.84 0.00 3.11 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 162 I 8.41 3.63 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 1.27 0.46 0.91 0.00 0.00 *163 N 7.97 4.54 0.00 2.48 2.62 0.00 0.00 6.49 7.56 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 * Residues marked with a * may have inaccurate shift predictions.