NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 M 4.4494 8.1627 120.6124 55.4041 33.8406 173.7944 21 K 4.8151 8.6391 126.6075 54.0161 34.7642 171.6770 22 E 4.6567 9.4388 125.9391 54.1053 33.2895 174.1315 23 Q 4.1885 8.7441 128.1295 56.1792 29.4512 175.2208 24 L 4.2499 9.0740 127.0578 56.0832 42.9464 176.2739 25 Y 4.8178 7.4033 114.9030 56.4975 41.9383 174.7310 26 T 4.8813 8.4807 112.8581 60.7547 71.5515 174.1128 27 G 3.9160 8.7295 106.6005 46.1371 0.0000 173.6586 28 L 4.3611 7.7237 119.9039 53.6517 42.7507 177.0126 29 T 4.3669 8.1599 112.1848 61.5285 70.8088 175.4451 30 E 3.9469 8.6311 121.4908 59.4294 29.5522 179.5489 31 K 3.9079 7.9710 119.1061 59.5830 32.3004 178.3639 32 E 3.9950 8.2046 119.2523 59.1155 29.5246 178.4092 33 A 3.9336 8.1477 120.9196 55.3148 18.3480 179.3391 34 N 4.2608 8.3387 114.9504 56.5263 38.5912 177.6707 35 Q 3.9185 8.0674 119.3732 59.2211 28.8252 178.8354 36 M 3.4091 7.8688 119.8529 58.0436 31.8521 178.6356 37 Q 3.8689 8.3292 119.9080 59.1596 29.2601 178.1789 38 A 3.9317 8.1286 121.9962 54.8602 18.2379 179.2858 39 L 3.8638 7.9112 118.9044 58.2579 42.1576 179.3105 40 L 3.9519 7.8937 118.7183 57.9019 41.6660 179.4624 41 L 4.2247 8.3248 120.6337 57.2118 41.3676 179.4817 42 S 4.3986 8.1444 112.2555 59.9291 63.1586 175.0051 43 N 4.8554 7.4591 119.6383 52.4352 39.7586 174.0192 44 D 4.3714 7.9626 117.3746 55.7919 38.8683 174.3903 45 V 4.3485 7.7191 117.9852 60.6623 33.8311 174.4931 46 N 4.6447 8.6863 124.9424 53.6551 39.1172 174.5604 47 V 4.8635 7.9446 119.6100 60.4106 34.5544 173.7829 48 S 4.9362 9.0403 117.0455 56.5274 66.2013 172.6991 49 K 5.2293 8.5186 121.6059 54.8492 35.2923 174.8101 50 E 4.8185 9.1550 123.0026 55.0394 33.7135 173.3252 51 M 5.0540 8.5134 120.5286 54.0532 34.1844 175.6734 52 D 4.7686 8.9315 126.3513 52.0955 41.3986 177.0826 53 K 4.1017 8.4609 117.3646 59.0453 32.0235 178.2420 54 S 4.4021 8.2657 112.9903 58.3758 63.1122 174.8854 55 G 3.9116 8.2737 109.1138 45.2410 0.0000 173.2995 56 N 4.8762 8.1700 117.3551 52.4397 41.1028 173.7225 57 M 5.1114 8.8071 119.9935 54.1749 34.8645 175.3891 58 T 5.1622 9.0046 119.2988 61.7817 72.0011 172.9440 59 L 5.2651 8.8187 125.6925 53.1966 44.3789 175.7915 60 S 5.2305 9.1037 118.0845 56.9919 67.7684 173.1179 61 V 4.5797 8.6437 113.3846 59.0760 36.4422 175.2699 62 A 4.3572 8.5634 124.2712 52.1925 19.1528 178.6715 63 A 4.0114 9.0157 124.2280 55.3806 18.1633 180.3046 64 A 4.1086 8.0079 117.5319 54.4922 18.7353 178.2786 65 D 4.6973 8.0574 116.3192 54.3190 41.1170 178.0862 66 F 4.0581 8.1005 123.2280 61.3445 39.3867 177.2037 67 V 3.4755 7.8882 117.2900 65.9446 31.4795 177.6002 68 R 3.8288 8.0292 117.7423 59.3883 29.8448 178.1149 69 A 3.9186 8.1208 120.5399 55.3768 18.4466 179.7484 70 I 3.5467 7.5302 118.4013 64.4947 36.9322 178.8050 71 T 3.8165 7.9467 116.7249 66.7503 67.8265 176.5976 72 I 3.7075 7.7272 121.4690 64.3646 37.0810 178.5674 73 L 4.1493 8.0971 119.7498 57.9530 41.5384 179.1941 74 N 4.3406 8.6328 116.7645 56.6122 38.3497 177.1299 75 N 4.5809 8.4059 115.9500 55.0472 38.6187 175.5345 76 N 4.8094 7.4751 115.0913 52.4561 39.2182 174.8517 77 G 3.7399 8.0830 106.5406 46.3892 0.0000 173.3676 78 F 4.8187 8.0209 117.7099 54.3634 40.8291 174.4413 79 P 4.6310 0.0000 0.0000 62.2585 31.8918 176.3457 80 K 4.2277 9.2178 120.2611 55.4095 32.5344 177.6724 81 K 3.9082 8.2584 122.5808 56.4463 32.6081 176.6401 82 K 4.2797 7.8286 120.6974 54.9144 33.9535 175.6858 83 F 4.8665 8.0684 118.1351 54.9550 42.4739 175.1501 84 A 4.0501 8.5909 124.8156 52.4827 18.9357 176.5208 85 D 4.7865 8.3291 120.5532 52.1927 42.8867 176.8728 86 I 3.5738 8.2026 126.5718 64.4339 37.6767 177.2433 87 E 4.0317 8.4125 118.5080 58.2265 29.0377 178.9568 88 V 3.7577 7.3832 117.8668 65.3351 32.0087 177.6331 89 I 3.7327 7.4866 118.0795 62.6659 38.1507 176.1753 90 F 4.9879 7.8039 118.1227 55.1348 38.8829 172.5150 91 P 5.0123 0.0000 0.0000 62.5026 31.7419 177.4809 *98 S 4.1756 7.8139 112.9758 57.7793 64.2775 172.5232 99 P 4.1914 0.0000 0.0000 66.1847 31.3939 179.0515 100 S 4.0668 7.8933 114.5514 61.1748 62.8158 176.3166 101 Q 3.2140 7.5387 121.7608 58.6481 28.6631 177.6277 102 E 3.8300 8.2266 120.6266 59.5873 29.6907 178.7135 103 N 4.3025 8.2013 116.1052 56.0530 38.4618 177.2980 104 A 4.0173 7.8015 121.9449 55.1871 18.4579 179.8981 105 K 4.0655 8.0205 116.9014 59.5679 32.1092 179.7411 106 I 3.7510 8.0614 120.4500 64.2753 36.9096 178.0172 107 N 4.3163 8.4108 118.0411 56.7536 38.7336 176.3082 108 Y 4.3000 8.3110 121.1185 60.6763 38.8316 177.7068 109 L 3.7198 8.1428 121.2722 58.0166 42.1386 178.9178 110 K 3.8824 8.0477 119.4632 59.4626 32.0928 178.5098 111 E 3.9134 8.4069 119.2234 59.6736 29.3689 179.4947 112 Q 3.8222 8.0045 118.1055 58.8903 28.7069 178.4557 113 D 4.3097 8.2726 120.2606 57.5244 40.7801 179.0518 114 I 3.7477 7.8887 120.2573 64.3313 37.1155 178.3380 115 E 3.9345 8.3470 119.6613 59.2929 29.0188 179.4068 116 R 3.8615 7.8918 118.0005 59.1508 30.4359 178.0866 117 L 4.0690 7.9121 120.0378 58.3703 42.2171 179.0737 118 L 4.0538 8.2334 119.0987 57.7305 41.3009 179.4290 119 S 4.3102 7.9860 113.7438 60.4251 62.8385 175.8466 120 K 4.2813 7.7125 120.1363 56.5410 32.4189 177.1360 121 I 3.8268 7.2975 122.2625 60.1631 37.4098 173.8119 122 P 4.4326 0.0000 0.0000 64.3137 31.7161 176.5876 123 G 3.9609 9.0745 111.1863 45.1271 0.0000 173.0170 124 V 4.2668 7.4019 120.1522 62.5741 31.9415 175.5012 125 I 4.1491 8.7925 129.1987 63.8398 37.8846 175.5613 126 D 4.8495 7.8089 119.0133 53.7261 44.6550 173.4938 127 C 5.1881 8.2083 115.2307 57.5821 32.4968 173.2084 128 S 4.9329 9.0385 115.3829 56.9245 67.0759 173.2981 129 V 4.8045 8.8589 122.8240 61.1298 34.2751 174.4679 130 S 4.8902 9.1137 122.4287 56.5578 64.8328 172.3431 131 L 4.8759 9.1916 127.6678 53.0843 43.8375 176.0514 132 N 4.7348 9.1756 122.2727 51.9465 40.6056 173.1373 133 V 4.2539 8.1691 125.7057 60.6022 32.1368 174.4110 *141 S 4.4023 8.2347 120.3648 58.1016 63.3000 172.6559 142 S 4.9002 8.6850 119.7894 57.7363 66.8154 172.7860 143 A 5.1378 8.9432 120.7969 50.3784 22.8776 174.8468 144 A 5.0510 9.0006 122.8643 50.0795 22.0596 175.7446 145 V 4.6763 8.9327 122.0628 61.0513 34.9702 173.7263 146 L 5.1290 8.8576 130.3238 53.2370 44.5330 174.9715 147 V 4.7649 8.8169 126.0697 61.1703 34.7071 173.9276 148 I 4.9327 8.7074 129.1789 59.9660 38.9768 174.9150 149 S 5.2489 8.7979 121.8047 55.9900 66.5006 173.5331 150 S 4.2643 8.9843 117.1031 58.1376 62.6303 173.6745 151 P 4.3644 0.0000 0.0000 65.0388 31.2576 176.9253 152 E 4.3450 8.0748 116.0483 56.4010 29.9474 176.2128 153 V 4.2931 7.4845 118.3782 60.7487 33.9979 174.4221 154 N 4.7237 8.6027 124.7998 52.4073 38.8187 174.7623 155 L 4.3922 8.2413 125.2289 54.8693 42.3495 178.1178 156 A 3.9802 7.9227 121.9823 55.0130 18.0991 177.9782 157 P 4.3353 0.0000 0.0000 64.9218 31.6520 177.9064 158 S 4.5229 8.1043 113.2129 58.6427 62.9573 176.0160 159 V 3.5817 7.5969 122.5408 66.2079 31.2917 177.9608 160 I 3.7520 7.6991 118.9879 64.2777 36.8837 178.3260 161 Q 3.9854 7.9838 118.4842 59.0205 28.6609 178.5923 162 I 3.6803 8.0454 121.1178 64.3596 37.0611 178.5895 163 K 3.9498 8.3871 119.6216 59.7034 31.8868 179.2150 164 N 4.3624 8.2931 116.6464 56.0299 38.1925 177.5437 165 L 3.9578 7.9398 119.9815 57.7805 42.1377 179.4217 166 V 3.7008 7.8976 118.1346 65.7435 30.9616 177.7502 167 K 3.8577 8.2864 119.7139 59.6943 31.8808 177.7974 168 N 4.6591 7.8762 112.9180 54.2875 38.8361 176.7247 169 S 4.3799 7.7364 116.2827 58.8341 63.5731 174.2425 170 V 4.4001 6.8432 119.7149 60.2343 34.2173 174.5085 171 D 4.2160 8.7744 126.1186 55.6975 41.8125 175.5825 172 D 4.3148 8.6524 126.0319 55.6311 39.4221 172.9209 173 L 4.7072 7.6994 118.8944 53.1244 44.9142 175.0592 174 K 4.6788 8.2196 124.3821 54.2441 34.8537 177.0346 175 L 4.0086 8.6049 121.9459 58.0561 41.6670 179.6578 176 E 4.0914 8.1666 114.6005 58.5092 29.9398 176.8804 177 N 4.9907 8.1931 117.0250 52.9401 40.0871 173.8696 178 I 4.9470 7.6839 120.1755 59.7285 39.5209 175.2578 179 S 4.6668 8.9217 124.1011 57.0675 64.5925 173.3508 180 V 4.7717 8.4234 124.7929 61.0308 33.5529 174.5658 181 V 4.4364 8.8710 128.2645 61.0987 34.1521 173.9701 182 I 5.0010 8.4544 128.2251 59.4932 39.4155 175.0748 183 K 4.6560 8.9379 126.1516 54.2527 35.5960 175.9749 184 S 4.8393 9.0153 119.3780 57.6335 62.6301 174.2933 185 S 4.3842 8.6112 120.7934 60.9374 63.4164 174.4997 186 S 4.2990 7.7224 119.2499 58.4606 62.8600 173.7693 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 20 M 8.16 4.45 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 21 K 8.64 4.82 0.00 1.87 1.66 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.51 7.81 22 E 9.44 4.66 0.00 1.93 1.79 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 2.16 2.10 0.00 23 Q 8.74 4.19 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 24 L 9.07 4.25 0.00 1.73 1.43 0.92 0.64 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 25 Y 7.40 4.82 0.00 3.09 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 26 T 8.48 4.88 4.28 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 1.24 0.00 0.00 27 G 8.73 3.92 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 0.00 0.00 0.00 28 L 7.72 4.36 0.00 1.85 1.60 0.97 0.66 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 29 T 8.16 4.37 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 1.23 0.00 0.00 30 E 8.63 3.95 0.00 2.04 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 0.00 2.41 2.38 0.00 31 K 7.97 3.91 0.00 1.84 1.83 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.52 7.81 32 E 8.20 4.00 0.00 2.17 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 2.35 2.52 0.00 33 A 8.15 3.93 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 34 N 8.34 4.26 0.00 2.92 2.86 0.00 0.00 7.05 7.59 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 35 Q 8.07 3.92 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.63 2.67 0.00 36 M 7.87 3.41 0.00 1.81 2.00 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 1.90 1.76 0.00 37 Q 8.33 3.87 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 38 A 8.13 3.93 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 L 7.91 3.86 0.00 1.75 1.71 0.97 0.60 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 40 L 7.89 3.95 0.00 1.84 1.81 0.89 0.50 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 41 L 8.32 4.22 0.00 1.66 1.71 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.14 4.40 0.00 4.03 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 43 N 7.46 4.86 0.00 2.77 2.84 0.00 0.00 6.97 8.18 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 44 D 7.96 4.37 0.00 2.85 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 45 V 7.72 4.35 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 0.99 0.00 0.00 0.98 0.00 0.00 46 N 8.69 4.64 0.00 2.76 2.74 0.00 0.00 6.93 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 47 V 7.94 4.86 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 0.73 0.00 0.00 0.92 0.00 0.00 48 S 9.04 4.94 0.00 3.88 3.97 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 49 K 8.52 5.23 0.00 1.72 1.66 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.55 7.81 50 E 9.15 4.82 0.00 2.03 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 2.19 2.25 0.00 51 M 8.51 5.05 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 52 D 8.93 4.77 0.00 2.92 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 53 K 8.46 4.10 0.00 1.77 1.92 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.46 7.81 54 S 8.27 4.40 0.00 3.96 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 55 G 8.27 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 56 N 8.17 4.88 0.00 2.87 2.66 0.00 0.00 6.87 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 57 M 8.81 5.11 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.75 0.00 58 T 9.00 5.16 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 1.28 0.00 0.00 59 L 8.82 5.27 0.00 1.65 1.57 0.96 0.57 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 60 S 9.10 5.23 0.00 3.72 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 61 V 8.64 4.58 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 0.71 0.00 0.00 1.02 0.00 0.00 62 A 8.56 4.36 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 63 A 9.02 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 64 A 8.01 4.11 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 65 D 8.06 4.70 0.00 2.88 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 66 F 8.10 4.06 0.00 3.22 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 V 7.89 3.48 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 0.99 0.00 0.00 1.08 0.00 0.00 68 R 8.03 3.83 0.00 1.91 2.01 0.00 3.24 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 1.69 1.70 0.00 69 A 8.12 3.92 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 70 I 7.53 3.55 1.49 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 -0.27 0.86 0.00 0.00 71 T 7.95 3.82 4.39 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 1.21 0.00 0.00 72 I 7.73 3.71 2.00 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 1.52 1.19 0.92 0.00 0.00 73 L 8.10 4.15 0.00 1.77 2.00 1.06 0.47 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 74 N 8.63 4.34 0.00 2.91 2.89 0.00 0.00 7.10 6.92 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 75 N 8.41 4.58 0.00 2.88 2.90 0.00 0.00 6.93 8.82 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 76 N 7.48 4.81 0.00 3.09 3.05 0.00 0.00 6.98 7.53 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 77 G 8.08 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 78 F 8.02 4.82 0.00 2.98 2.82 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 0.00 0.00 0.00 79 P 0.00 4.63 0.00 1.98 1.64 0.00 3.54 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.22 0.00 80 K 9.22 4.23 0.00 1.74 1.70 0.00 1.49 0.00 0.00 1.34 0.00 0.00 2.13 0.00 0.00 2.14 0.00 0.00 0.00 0.00 1.22 1.40 7.81 81 K 8.26 3.91 0.00 1.42 1.27 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.29 1.33 7.81 82 K 7.83 4.28 0.00 1.57 1.61 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.25 1.31 7.81 83 F 8.07 4.87 0.00 2.98 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 84 A 8.59 4.05 1.22 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 0.00 0.00 0.00 85 D 8.33 4.79 0.00 2.65 2.48 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 0.00 86 I 8.20 3.57 1.50 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.05 0.00 0.00 87 E 8.41 4.03 0.00 2.13 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 2.27 2.47 0.00 88 V 7.38 3.76 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 0.79 0.00 0.00 0.90 0.00 0.00 89 I 7.49 3.73 1.30 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.59 -0.03 0.00 0.00 90 F 7.80 4.99 0.00 3.09 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 91 P 0.00 5.01 0.00 2.19 2.14 0.00 3.47 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.90 0.00 *98 S 7.81 4.18 0.00 3.90 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.19 0.00 2.27 2.26 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 100 S 7.89 4.07 0.00 3.81 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 0.00 101 Q 7.54 3.21 0.00 1.62 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.79 0.00 0.00 0.00 0.00 0.00 2.10 1.59 0.00 102 E 8.23 3.83 0.00 2.15 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 2.28 2.38 0.00 103 N 8.20 4.30 0.00 2.75 2.83 0.00 0.00 6.98 6.37 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 0.00 104 A 7.80 4.02 1.34 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 0.00 0.00 0.00 105 K 8.02 4.07 0.00 1.99 1.92 0.00 1.69 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.61 7.81 106 I 8.06 3.75 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.86 0.91 0.00 0.00 107 N 8.41 4.32 0.00 2.98 3.04 0.00 0.00 6.84 7.13 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 0.00 108 Y 8.31 4.30 0.00 3.17 3.22 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 0.00 109 L 8.14 3.72 0.00 1.92 1.83 0.89 0.46 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 0.00 110 K 8.05 3.88 0.00 1.91 1.93 0.00 1.68 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.50 7.81 111 E 8.41 3.91 0.00 2.12 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 2.39 2.50 0.00 112 Q 8.00 3.82 0.00 1.87 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 1.72 1.51 0.00 113 D 8.27 4.31 0.00 2.79 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 0.00 114 I 7.89 3.75 1.84 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 1.50 0.82 0.89 0.00 0.00 115 E 8.35 3.93 0.00 2.10 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 2.43 0.00 116 R 7.89 3.86 0.00 1.87 2.10 0.00 3.25 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 1.62 1.62 0.00 117 L 7.91 4.07 0.00 1.85 1.80 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.23 4.05 0.00 1.69 1.69 0.91 0.88 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 0.00 119 S 7.99 4.31 0.00 3.99 3.92 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 0.00 120 K 7.71 4.28 0.00 1.87 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.66 7.81 121 I 7.30 3.83 1.97 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 1.29 0.66 0.91 0.00 0.00 122 P 0.00 4.43 0.00 2.03 2.01 0.00 3.63 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 123 G 9.07 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 0.00 124 V 7.40 4.27 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 0.83 0.00 0.00 1.01 0.00 0.00 125 I 8.79 4.15 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.68 0.92 0.00 0.00 126 D 7.81 4.85 0.00 2.72 2.45 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 0.00 127 C 8.21 5.19 0.00 3.07 2.82 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 0.00 0.00 0.00 128 S 9.04 4.93 0.00 3.69 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 0.00 129 V 8.86 4.80 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 0.72 0.00 0.00 0.91 0.00 0.00 130 S 9.11 4.89 0.00 3.87 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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154 N 8.60 4.72 0.00 2.68 2.72 0.00 0.00 7.04 7.78 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 0.00 155 L 8.24 4.39 0.00 1.72 1.67 0.92 0.90 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 0.00 156 A 7.92 3.98 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 0.00 157 P 0.00 4.34 0.00 2.03 2.13 0.00 3.75 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 2.02 2.17 0.00 158 S 8.10 4.52 0.00 3.98 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 0.00 159 V 7.60 3.58 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 1.10 0.00 0.00 0.97 0.00 0.00 160 I 7.70 3.75 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 1.63 1.02 0.91 0.00 0.00 161 Q 7.98 3.99 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 162 I 8.05 3.68 2.00 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 1.51 0.77 0.90 0.00 0.00 163 K 8.39 3.95 0.00 1.92 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.64 7.81 164 N 8.29 4.36 0.00 2.82 2.85 0.00 0.00 7.06 6.04 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 0.00 165 L 7.94 3.96 0.00 1.76 1.72 0.91 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 166 V 7.90 3.70 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 0.98 0.00 0.00 0.99 0.00 0.00 167 K 8.29 3.86 0.00 1.92 1.97 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.69 7.81 168 N 7.88 4.66 0.00 2.85 2.83 0.00 0.00 7.14 7.70 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 0.00 169 S 7.74 4.38 0.00 4.00 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 0.00 170 V 6.84 4.40 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 0.76 0.00 0.00 0.97 0.00 0.00 171 D 8.77 4.22 0.00 2.65 2.57 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 0.00 172 D 8.65 4.31 0.00 2.81 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 0.00 173 L 7.70 4.71 0.00 1.58 1.50 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 174 K 8.22 4.68 0.00 1.83 1.67 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.42 7.81 175 L 8.60 4.01 0.00 1.74 1.73 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 176 E 8.17 4.09 0.00 2.07 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 0.00 2.27 2.33 0.00 177 N 8.19 4.99 0.00 2.80 2.87 0.00 0.00 6.62 6.78 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 0.00 178 I 7.68 4.95 1.96 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 1.22 0.77 0.90 0.00 0.00 179 S 8.92 4.67 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 0.00 180 V 8.42 4.77 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 0.77 0.00 0.00 0.92 0.00 0.00 181 V 8.87 4.44 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 1.01 0.00 0.00 0.92 0.00 0.00 182 I 8.45 5.00 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 1.34 0.77 0.96 0.00 0.00 183 K 8.94 4.66 0.00 1.60 1.65 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.48 7.81 184 S 9.02 4.84 0.00 3.88 3.76 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 0.00 185 S 8.61 4.38 0.00 3.95 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 0.00 186 S 7.72 4.30 0.00 3.99 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 * Residues marked with a * may have inaccurate shift predictions.