NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4940 8.3049 118.1929 55.0856 32.5744 174.1908 2 L 4.6754 8.5460 118.8738 50.6309 45.6963 175.1036 3 D 4.9898 8.6575 122.2994 51.3713 44.3065 176.5987 4 A 3.9196 8.5326 121.9814 55.4878 18.1621 180.3663 5 F 4.1010 8.1187 115.3705 60.8374 39.2268 177.7876 6 A 4.1148 9.5019 121.1300 54.7456 17.9214 179.5536 7 K 3.8539 8.1491 118.6558 59.7097 32.1964 179.2323 8 V 3.7182 7.4075 117.8921 65.8258 31.3913 178.0880 9 V 3.5155 7.7153 117.4107 66.0981 31.2954 177.8928 10 A 3.9719 8.3180 120.6791 55.2245 17.6630 179.6856 11 Q 3.9329 7.9157 116.5539 58.8192 28.8046 178.5263 12 A 3.8180 8.1497 122.0133 55.0937 18.4442 179.1814 13 D 4.1284 8.2666 116.3741 57.5221 41.1847 178.2553 14 A 4.2803 7.5602 119.2345 54.6490 18.3335 178.7653 15 R 4.3625 7.4349 114.3404 55.1246 31.3185 176.2644 16 G 3.8003 8.5522 106.9517 46.5927 0.0000 173.0697 17 E 4.8181 7.9097 115.0170 53.8064 32.9018 175.2437 18 F 4.3261 8.8459 118.5429 56.6717 39.9417 175.4982 19 L 4.0511 8.2675 122.0607 54.9147 42.0539 177.7064 20 T 4.5922 7.8087 111.9125 60.4525 72.0827 175.5746 21 N 4.5874 8.8306 118.8289 56.4606 38.4491 177.5214 22 A 4.0091 7.9867 121.7278 55.3144 18.5876 179.4753 23 Q 3.8881 7.8394 115.9819 59.0452 28.7857 179.0152 24 F 4.2959 8.2427 118.9866 60.8842 38.9440 177.3668 25 D 4.4597 8.6778 118.5031 57.3767 40.1119 178.8929 26 A 3.9830 8.4602 121.4788 55.3610 18.3458 179.8183 27 L 3.9858 8.4378 117.8945 57.8166 41.2307 179.6753 28 S 4.2509 8.8479 113.5705 61.2524 62.1279 175.9084 29 N 4.4706 8.0305 119.2437 55.9201 38.0642 177.3485 30 L 3.9991 7.3763 119.1392 57.7805 42.1091 179.2820 31 V 3.8900 7.7929 118.3529 66.0855 31.2217 178.2856 32 K 4.1131 7.6570 116.8038 58.7953 32.2030 178.1384 33 E 4.5642 7.9939 117.0229 55.9672 29.6532 177.8691 34 G 3.9121 7.7786 107.9844 48.3461 0.0000 175.4618 35 N 4.3657 8.2889 118.4860 56.1758 38.5480 177.4822 36 K 4.0516 7.9814 119.1897 59.3974 32.0948 179.4638 37 R 3.9898 7.8669 118.6475 59.2785 30.0788 178.4147 38 L 4.0763 8.1301 119.0204 57.7443 41.5073 179.1933 39 D 4.3476 8.1276 118.3479 57.0821 40.7729 178.4726 40 A 3.9982 7.9755 121.3109 55.2850 18.4041 179.8220 41 V 3.5419 7.6034 116.0988 66.0777 31.5532 177.5611 42 N 4.2728 8.2716 116.7207 56.8283 38.5764 176.9442 43 R 3.9097 7.9406 117.8799 59.3314 30.4410 178.7791 44 I 3.8763 7.7718 119.3414 64.9557 37.2411 178.5464 45 T 3.8506 8.0670 116.4087 66.8986 68.0993 176.4677 46 S 4.4523 8.2953 115.3684 60.0628 63.0517 174.5236 47 N 4.9693 8.1414 119.1565 52.4141 39.6298 176.0908 48 A 3.9683 7.8157 121.0570 55.9558 18.2663 180.5215 49 S 4.0629 8.0532 111.9634 62.1702 62.9456 177.1469 50 T 3.8819 7.8684 117.6105 66.6378 68.2711 176.5527 51 I 3.6607 7.8495 121.6574 64.3215 37.1656 178.7300 52 V 3.5204 7.7747 118.6716 65.9571 31.4408 177.8752 53 A 4.0018 8.0335 120.4715 55.4305 18.1203 179.4413 54 N 4.3109 8.4822 114.9624 56.2395 38.5103 177.6400 55 A 3.9173 7.9012 121.7304 54.8631 18.3467 179.6182 56 A 3.4066 7.9411 119.3687 55.0654 18.4293 179.8840 57 R 3.9094 7.8629 116.4224 59.4954 30.1449 179.1865 58 A 3.9225 7.6596 120.2599 54.8935 18.3017 179.2130 59 L 3.7654 7.6545 118.9540 58.5975 42.1386 179.4496 60 F 4.5756 7.9483 117.3804 60.3647 38.5549 177.5410 61 A 4.2327 7.8503 120.0059 54.8185 18.2942 179.0727 62 E 4.2425 8.1555 116.5619 57.9155 31.3109 177.2921 63 Q 4.7057 8.3671 117.6327 52.8286 29.3471 173.9867 64 P 4.5657 0.0000 0.0000 64.5266 32.1024 179.3763 65 Q 4.1320 8.0379 116.6021 58.3324 28.8525 178.0638 66 L 4.1359 7.9904 118.7350 56.6463 41.7238 177.5662 67 I 4.2749 7.2327 109.1069 60.3647 38.5186 175.9129 68 Q 4.1527 7.3451 120.3873 54.8210 29.2223 173.7982 69 P 2.9700 0.0000 0.0000 63.7278 31.6479 176.6589 70 G 3.9832 8.4592 110.5846 45.3779 0.0000 174.2551 71 G 3.7962 7.9794 108.6652 45.2629 0.0000 174.1269 72 N 4.2588 8.6170 117.9269 55.8955 39.2108 176.3498 *75 A 4.7002 7.7829 118.4249 51.9354 20.1506 175.4736 76 Y 4.2202 7.5704 118.8880 59.1190 39.7560 175.7422 77 T 3.0912 7.4941 113.5350 62.1290 68.7635 172.6382 78 N 4.3343 8.3015 119.9379 55.9690 38.4986 177.8979 79 R 3.8248 7.7388 120.1008 59.6295 30.3848 178.6569 80 R 3.9885 7.6864 117.8975 59.2013 29.9066 178.8305 81 M 4.0279 8.0114 118.0197 58.5250 32.2614 178.1309 82 A 3.9828 8.3067 120.9829 55.0388 18.5039 179.4195 83 A 3.9753 8.0114 119.3160 55.3539 18.4537 179.2911 84 C 4.0749 8.2532 117.1035 62.8400 31.7390 175.8122 85 L 4.0378 8.2073 120.5973 57.7061 41.1085 179.5065 86 R 3.9079 8.5252 118.9850 59.6639 29.9912 178.1405 87 D 4.4499 8.5572 119.0107 57.8058 40.7684 178.9266 88 M 4.0841 8.1158 118.9989 58.4832 31.9317 178.4683 89 E 3.9345 8.3063 119.3981 59.2935 29.7387 178.9745 90 I 3.7617 8.1365 120.2547 64.2370 37.2688 178.4187 91 I 3.7705 8.1006 120.9725 64.3528 37.0419 178.2506 92 L 3.9621 8.1745 121.3228 57.9325 41.7659 178.8944 93 R 3.4412 8.0496 118.8432 59.6900 30.0456 178.2719 94 Y 3.5835 7.5830 116.0517 60.5120 37.8725 178.5773 95 V 3.4261 7.4881 119.4576 65.8386 31.6611 178.1178 96 T 3.9163 7.5840 109.3606 64.5295 68.5353 176.4670 97 Y 4.2960 7.3047 119.9395 60.9943 37.8184 178.0023 98 A 3.9635 7.6116 122.5825 54.5748 18.0703 179.7813 99 I 3.6964 7.1615 117.0781 64.2876 37.1978 178.1726 100 L 4.1209 7.6623 119.8862 58.1281 42.2228 178.5894 101 A 4.2257 8.3638 121.2909 53.1322 18.0284 178.8680 102 G 4.1195 9.9594 104.3041 45.7504 0.0000 172.5867 103 D 4.7434 7.5655 116.9548 51.8072 44.1453 175.6310 104 S 4.4336 8.7957 119.7344 58.5981 63.5774 176.0112 105 S 4.1135 9.0481 120.2734 62.1594 62.6271 176.8234 106 V 3.6888 7.8345 122.8808 64.1417 30.9043 177.8322 107 L 3.9740 7.8216 120.2811 57.8814 42.1582 178.5764 108 D 4.2795 8.4101 119.1274 57.5893 40.6446 178.5654 109 D 4.3286 8.3404 118.2335 56.8948 40.9784 178.2090 110 R 4.3444 7.4256 114.5339 55.9469 30.5015 175.9037 111 C 4.2972 7.2729 116.8903 60.8400 34.7575 175.0606 112 L 4.1125 7.9819 119.4308 57.3552 41.4899 177.3839 113 N 4.6059 7.7453 116.4093 54.2948 38.9282 175.6218 114 G 3.9509 8.8949 111.5989 45.1859 0.0000 174.9946 115 L 3.6729 7.7313 121.2661 58.0038 42.0672 178.6629 116 R 3.9935 7.9106 118.1857 59.5614 29.5490 178.1406 117 E 3.9925 8.0959 117.8205 59.7164 29.6237 179.2683 118 T 3.8393 7.8320 115.7203 66.8839 68.3893 176.3714 119 Y 4.4057 7.9268 118.5613 61.0053 37.6856 177.8938 120 Q 4.0419 8.0637 117.8834 59.3781 29.0156 179.0230 121 A 4.1510 8.0015 120.0131 55.1160 18.4735 179.2830 122 L 4.2423 7.7726 116.4862 55.6590 41.7980 178.0910 123 G 3.9007 8.5101 106.5268 45.9907 0.0000 172.8385 124 T 4.4391 7.7824 116.1665 61.0551 69.5443 173.9689 125 P 4.4808 0.0000 0.0000 62.8655 30.4344 176.6425 126 G 3.6447 8.5869 113.4510 48.5098 0.0000 172.7859 127 S 4.2162 7.9837 115.5586 61.2582 63.2196 176.6424 128 S 4.1365 8.2185 119.2605 61.1898 62.4680 176.7105 129 V 3.4923 7.4892 120.5174 65.7700 31.2641 177.5431 130 A 3.9998 7.8271 120.2272 55.3468 18.1576 179.7802 131 V 3.4608 7.6253 116.1219 65.9007 31.6306 177.9207 132 A 3.8635 7.6686 120.0358 55.4370 18.2706 179.5675 133 I 3.7584 7.9414 116.9495 64.1593 38.1555 177.9596 134 Q 3.9495 8.3348 119.3450 58.6853 28.5996 178.7616 135 K 3.8062 7.9372 120.4496 59.9623 32.2255 178.7820 136 M 3.9835 7.7533 118.3195 57.9945 31.6866 178.4599 137 K 2.0000 7.5013 119.7593 59.1541 32.2663 178.3166 138 D 4.2125 7.6754 118.1397 57.3558 40.7018 178.9802 139 A 3.9022 7.7948 120.5929 54.9155 18.3265 179.3014 140 A 3.9508 8.4038 119.9919 55.6827 18.5065 180.0156 141 I 3.6585 7.9293 118.0775 64.3434 36.9078 178.4751 142 A 3.9967 7.8152 120.7574 55.4223 18.2773 179.4987 143 I 3.8683 7.8665 117.0442 63.9614 37.2284 178.3533 144 A 4.1456 8.0997 121.6351 54.3950 19.3758 178.7204 145 N 4.7257 7.8910 113.8088 51.7973 36.9533 175.3123 146 D 4.6500 7.6850 117.4567 52.9812 42.1201 174.1311 147 P 4.3770 0.0000 0.0000 64.9718 31.4853 176.3507 148 N 4.4554 7.6045 116.2826 54.2396 38.9649 175.5015 149 G 3.9885 10.4572 110.4406 45.3353 0.0000 172.5997 150 I 4.5262 7.0886 110.6077 59.2162 40.3075 174.5459 151 T 3.8942 8.4200 118.3436 63.2076 68.6204 172.8489 152 P 4.3969 0.0000 0.0000 61.9699 32.0554 175.8448 153 G 3.9730 7.7634 109.3160 45.6811 0.0000 170.9385 154 D 4.6757 8.2295 119.1272 53.4652 42.0067 175.5102 155 C 4.8682 8.5087 121.9418 59.0140 29.9137 175.4782 156 S 4.1052 8.1704 116.3751 61.8645 62.1528 176.6154 157 A 4.1376 7.8793 125.0311 54.1106 18.2244 179.1797 158 L 3.9125 7.8582 118.3817 58.5719 42.1782 178.8815 159 M 4.1463 8.2483 118.9558 58.4760 31.7722 178.9358 160 S 4.0911 8.1447 114.4423 61.2581 63.2320 176.2555 161 E 3.7101 8.0831 122.9454 59.1021 29.0493 178.7501 162 I 3.8504 8.2814 120.0423 64.4839 37.0747 178.2864 163 A 4.3804 8.4076 122.0009 54.8496 18.1154 179.7673 164 G 3.4847 7.7226 104.0973 48.4039 0.0000 175.3797 165 Y 4.3603 7.3762 119.2674 60.6086 37.8394 178.8875 166 F 4.2020 7.9679 117.2796 60.8743 39.0641 177.4727 167 D 4.4588 8.5495 118.7053 57.3480 40.3257 178.8951 168 R 3.8931 8.2657 118.7737 59.3174 30.3976 178.2390 169 A 4.1495 8.1984 120.3801 55.0718 18.5546 179.2701 170 A 3.9911 8.2387 119.1647 55.5315 18.2517 179.7550 171 A 4.0779 8.1639 117.4221 54.5169 18.5369 178.8233 172 A 4.2907 7.7931 117.4468 53.3565 18.7854 178.3173 173 V 4.2778 7.5516 107.8969 61.7981 34.6819 175.5098 174 A 4.1788 7.9178 126.0691 52.6141 18.1290 176.9092 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 8.30 4.49 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 2 L 8.55 4.68 0.00 1.60 1.56 0.92 0.71 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 3 D 8.66 4.99 0.00 3.18 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 4 A 8.53 3.92 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 5 F 8.12 4.10 0.00 3.27 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 6 A 9.50 4.11 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 7 K 8.15 3.85 0.00 1.98 1.99 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.47 7.81 8 V 7.41 3.72 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 0.95 0.00 0.00 0.91 0.00 0.00 9 V 7.72 3.52 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 1.01 0.00 0.00 10 A 8.32 3.97 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 11 Q 7.92 3.93 0.00 2.20 2.13 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 2.36 2.58 0.00 12 A 8.15 3.82 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 13 D 8.27 4.13 0.00 2.74 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 14 A 7.56 4.28 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 15 R 7.43 4.36 0.00 1.76 1.98 0.00 3.25 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 16 G 8.55 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 4.82 0.00 2.13 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 2.19 2.24 0.00 18 F 8.85 4.33 0.00 3.04 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 19 L 8.27 4.05 0.00 1.00 0.41 0.81 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.81 4.59 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 1.21 0.00 0.00 21 N 8.83 4.59 0.00 2.83 3.02 0.00 0.00 6.71 7.93 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 22 A 7.99 4.01 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 23 Q 7.84 3.89 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 24 F 8.24 4.30 0.00 3.26 3.07 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 25 D 8.68 4.46 0.00 3.02 2.77 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 26 A 8.46 3.98 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 27 L 8.44 3.99 0.00 1.82 1.99 1.03 0.60 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 28 S 8.85 4.25 0.00 4.04 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 29 N 8.03 4.47 0.00 3.01 2.86 0.00 0.00 6.88 8.09 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 30 L 7.38 4.00 0.00 1.72 1.64 0.44 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 31 V 7.79 3.89 2.38 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 1.09 0.00 0.00 1.18 0.00 0.00 32 K 7.66 4.11 0.00 2.02 1.89 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.62 7.81 33 E 7.99 4.56 0.00 1.95 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 2.47 2.47 0.00 34 G 7.78 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 35 N 8.29 4.37 0.00 2.80 2.92 0.00 0.00 7.09 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 36 K 7.98 4.05 0.00 1.97 1.88 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.46 7.81 37 R 7.87 3.99 0.00 1.92 2.10 0.00 3.24 0.00 0.00 3.63 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 38 L 8.13 4.08 0.00 1.90 1.72 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.13 4.35 0.00 2.94 2.73 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 40 A 7.98 4.00 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 41 V 7.60 3.54 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 1.01 0.00 0.00 1.02 0.00 0.00 42 N 8.27 4.27 0.00 2.95 2.99 0.00 0.00 7.28 7.24 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 43 R 7.94 3.91 0.00 1.96 1.99 0.00 3.25 0.00 0.00 3.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.93 0.00 44 I 7.77 3.88 1.91 0.00 0.00 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 1.59 0.90 0.99 0.00 0.00 45 T 8.07 3.85 4.49 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 1.21 0.00 0.00 46 S 8.30 4.45 0.00 4.00 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 47 N 8.14 4.97 0.00 2.77 2.75 0.00 0.00 6.69 7.86 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 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0.00 0.00 0.00 0.96 0.00 0.00 125 P 0.00 4.48 0.00 2.23 2.22 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 126 G 8.59 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 0.00 127 S 7.98 4.22 0.00 4.05 4.13 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 0.00 128 S 8.22 4.14 0.00 4.02 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 0.00 129 V 7.49 3.49 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 1.07 0.00 0.00 0.38 0.00 0.00 130 A 7.83 4.00 1.46 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 0.00 131 V 7.63 3.46 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 0.96 0.00 0.00 0.96 0.00 0.00 132 A 7.67 3.86 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 0.00 133 I 7.94 3.76 1.97 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 1.07 0.00 0.00 134 Q 8.33 3.95 0.00 2.28 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 135 K 7.94 3.81 0.00 1.97 1.83 0.00 1.55 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.41 7.81 136 M 7.75 3.98 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.54 0.00 137 K 7.50 2.00 0.00 1.36 1.72 0.00 1.49 0.00 0.00 1.51 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.84 1.51 7.81 138 D 7.68 4.21 0.00 2.84 2.63 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 0.00 139 A 7.79 3.90 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 0.00 140 A 8.40 3.95 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 0.00 141 I 7.93 3.66 1.81 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 0.87 0.91 0.00 0.00 142 A 7.82 4.00 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 0.00 143 I 7.87 3.87 2.00 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 1.45 0.68 0.92 0.00 0.00 144 A 8.10 4.15 1.40 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 0.00 0.00 145 N 7.89 4.73 0.00 2.84 2.89 0.00 0.00 7.03 7.63 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 0.00 146 D 7.68 4.65 0.00 2.78 2.63 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 0.00 147 P 0.00 4.38 0.00 2.22 2.18 0.00 3.81 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 1.99 2.00 0.00 148 N 7.60 4.46 0.00 3.03 2.79 0.00 0.00 7.11 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 0.00 149 G 10.46 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 0.00 0.00 0.00 150 I 7.09 4.53 1.88 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 1.42 0.50 0.92 0.00 0.00 151 T 8.42 3.89 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 0.00 152 P 0.00 4.40 0.00 2.18 2.05 0.00 3.91 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 153 G 7.76 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 0.00 0.00 0.00 154 D 8.23 4.68 0.00 2.65 2.58 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 0.00 155 C 8.51 4.87 0.00 2.99 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 0.00 156 S 8.17 4.11 0.00 4.09 4.15 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 0.00 157 A 7.88 4.14 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 0.00 158 L 7.86 3.91 0.00 1.74 1.79 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 159 M 8.25 4.15 0.00 2.08 2.24 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 0.00 160 S 8.14 4.09 0.00 4.03 4.11 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 0.00 161 E 8.08 3.71 0.00 2.00 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 1.92 2.13 0.00 162 I 8.28 3.85 2.14 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.31 1.20 0.00 0.00 163 A 8.41 4.38 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 0.00 164 G 7.72 3.48 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 0.00 0.00 0.00 165 Y 7.38 4.36 0.00 2.83 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 F 7.97 4.20 0.00 3.34 3.04 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 0.00 0.00 0.00 167 D 8.55 4.46 0.00 2.85 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 R 8.27 3.89 0.00 2.00 2.24 0.00 3.36 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 169 A 8.20 4.15 1.43 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 0.00 0.00 0.00 170 A 8.24 3.99 1.43 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 0.00 0.00 0.00 171 A 8.16 4.08 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 0.00 172 A 7.79 4.29 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 0.00 173 V 7.55 4.28 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 0.98 0.00 0.00 1.15 0.00 0.00 174 A 7.92 4.18 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 * Residues marked with a * may have inaccurate shift predictions.