NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3302 8.1593 117.3741 63.5068 70.1314 172.8317 2 S 4.6450 8.0892 118.8921 55.1533 65.7431 173.1243 3 K 3.8114 9.6353 124.4619 60.1785 32.6813 180.1703 4 K 3.9724 8.0555 117.7807 59.3470 31.7698 178.9823 5 K 3.9532 7.9514 119.0666 59.0639 32.1092 177.9924 6 R 4.3858 7.3741 115.6432 56.3969 30.4780 177.8797 7 Q 4.0522 8.0219 119.5495 56.9185 28.5995 176.2159 8 R 4.0688 7.3613 119.9031 57.3251 30.4577 176.8323 9 G 3.9772 9.1209 112.0460 45.2772 0.0000 173.7511 10 S 4.3739 7.5268 112.6822 57.4156 63.4931 174.8979 11 R 3.8924 7.9529 123.4081 58.2349 29.6012 176.6102 12 T 4.3931 7.5584 103.9235 60.9598 69.1787 174.2402 13 H 4.8409 8.4454 116.9917 56.1175 26.9416 175.7742 14 G 3.9655 8.4469 107.7505 45.4714 0.0000 175.3117 15 G 4.0500 8.7616 108.8876 45.1557 0.0000 175.9547 16 G 3.6265 7.5345 108.9749 45.6936 0.0000 175.5099 17 S 4.1769 8.5698 118.2751 58.4349 62.6381 174.7215 18 H 4.3973 8.8867 122.2761 57.6050 28.2657 175.8597 19 K 4.1041 7.8291 119.0281 56.8247 31.3938 177.3382 20 N 4.4372 7.7150 117.5208 55.1628 39.1090 176.6138 21 R 4.2251 7.4864 125.3037 56.7307 29.2875 177.7887 22 R 4.6063 7.4343 124.4299 56.2162 30.7801 179.5729 23 G 3.9341 8.5177 120.5767 46.1345 0.0000 173.1721 24 A 4.2666 8.6355 119.9594 54.0789 18.5100 179.9972 25 G 3.5378 8.0916 104.5652 48.0800 0.0000 174.7960 26 H 4.5138 7.8816 117.5446 57.6139 29.9549 175.6349 27 R 4.3692 8.3573 117.8523 55.6921 31.1527 175.8981 28 G 3.7492 8.7613 106.4278 47.1380 0.0000 174.2240 29 G 4.1038 8.2778 105.4056 43.8877 0.0000 174.5584 30 R 4.0101 8.6320 120.8943 56.9240 31.7162 176.5278 31 G 3.8056 8.2402 112.6565 47.5855 0.0000 173.6283 32 D 4.7146 8.7380 123.5944 53.9081 40.8430 176.0455 33 A 4.0010 7.6473 123.8092 52.7670 18.9415 178.4577 34 G 3.9167 8.8269 103.9664 46.3554 0.0000 175.4601 35 R 3.8270 7.6395 115.6929 57.1857 29.4144 177.1782 36 D 5.0749 7.8955 115.9373 52.9048 42.3483 176.1271 37 K 4.5755 7.2113 117.4970 56.4759 32.1414 179.1608 38 H 4.4758 9.4277 126.6021 58.7047 28.0751 174.6850 39 E 4.7289 8.0509 121.0102 55.9987 30.2473 177.3736 40 F 4.3893 8.0175 114.0932 58.3162 38.3791 174.4737 41 H 3.8769 6.4005 118.9020 57.1401 28.1482 174.6169 42 N 4.2568 8.8795 122.7000 54.8287 35.1289 174.4255 43 H 4.6598 7.7789 115.3256 53.5968 30.3748 173.7110 44 E 3.8272 8.9372 123.6087 55.9608 29.6459 175.8797 45 P 4.3353 0.0000 0.0000 62.6014 31.8389 175.6041 46 L 4.2202 8.1570 118.7224 54.9295 42.4375 175.9790 47 G 4.2266 8.2924 106.8715 43.5392 0.0000 173.5582 48 K 4.4420 8.1642 119.7510 55.2409 33.5839 176.8210 49 S 4.3416 8.1119 115.0768 57.7572 64.9557 175.2885 50 G 4.0313 8.8604 118.5975 44.7980 0.0000 170.6883 51 F 5.1250 9.0032 112.9638 55.1272 41.1449 173.5213 52 K 4.1923 8.1057 117.8275 54.6559 35.7209 176.0335 53 R 4.4561 7.8301 120.4761 53.1972 32.0852 174.4903 54 P 4.1164 0.0000 0.0000 63.3079 31.7477 176.7620 55 Q 3.9139 9.0236 121.4394 59.0580 28.7040 178.6163 56 K 4.2056 7.9592 113.2122 57.7929 32.9706 177.1429 57 V 4.1033 7.8421 119.0935 62.7359 31.4636 174.7697 58 Q 4.4272 7.6372 118.1036 54.3202 29.4133 174.9644 59 E 4.0829 8.6168 123.5135 55.3562 30.4645 175.5306 60 E 4.3874 8.4258 125.3167 54.4294 30.9324 174.1614 61 A 4.4759 8.2097 129.0901 51.0676 19.9892 176.1437 62 A 4.5438 8.9454 125.0956 51.2688 20.3464 176.5778 63 T 5.6006 8.1087 110.9964 59.2522 72.6021 173.0576 64 I 4.3473 7.8462 119.4245 60.3372 41.6549 172.9190 65 D 5.8500 8.4773 128.3425 52.7743 42.5441 177.7726 66 V 3.6197 8.6278 114.7509 64.6509 31.4923 178.5598 67 R 3.8861 7.8630 118.2483 59.8706 29.6719 177.6985 68 E 3.8703 8.1453 118.1373 59.4922 29.4437 178.3521 69 I 3.5523 7.6891 118.2215 64.9315 37.5469 177.0108 70 D 4.4654 8.9962 118.3808 57.7868 41.0455 178.5495 71 E 4.1085 8.5089 117.4699 58.4387 29.5737 177.5370 72 N 5.0202 7.6909 115.9144 52.8666 39.9091 177.1947 73 V 3.5244 7.8839 114.3132 64.7341 31.6561 179.1457 74 T 3.8666 7.5505 107.9010 64.4894 68.6956 174.9844 75 L 4.2659 7.4007 118.0599 55.3907 42.1665 177.1954 76 L 4.7014 7.3951 118.8313 53.2801 41.4250 176.2715 77 A 4.2161 7.7665 123.1884 54.2455 19.4449 178.8561 78 A 4.4516 7.9071 117.5800 52.4176 18.3810 176.6962 79 D 4.6325 8.1080 118.5319 55.7632 44.3425 175.4594 80 D 4.1909 7.3990 122.2068 48.9585 41.9408 175.3931 81 V 4.0970 8.2904 120.9707 61.2002 33.8268 174.4731 82 A 4.6574 7.8918 133.1069 51.4155 21.2901 175.5634 83 E 3.7716 8.9175 109.7296 59.1143 30.0293 173.1197 *89 F 4.6025 7.7512 114.3421 57.9825 41.1149 173.8161 90 R 5.2723 8.4947 120.1472 54.7182 32.8758 174.9280 91 V 4.4421 8.9186 125.7254 60.1283 35.1108 174.0856 92 D 4.4355 8.9155 125.0858 53.3855 40.5903 176.1255 93 V 3.5782 8.7050 128.6052 66.0494 31.6992 178.3752 94 R 3.9096 7.7461 117.7574 59.4414 29.9243 177.0985 95 D 4.6477 8.2866 114.9026 54.7945 41.2261 176.6163 96 V 4.1112 8.1935 118.9599 64.1944 32.9219 176.5577 97 V 3.6379 7.6769 117.7838 63.2336 31.7701 174.8878 98 E 4.3645 8.5171 125.8139 56.7676 30.6554 176.2089 99 E 3.8750 8.9159 119.6554 56.8217 26.6348 175.6279 100 A 4.3545 7.8614 119.1431 53.1288 18.6133 178.3566 101 D 4.6218 7.9995 118.1258 56.7461 41.7155 178.0538 102 D 4.7371 8.0185 114.8849 53.0573 39.3579 175.1992 103 A 4.6931 7.3414 122.2676 50.6375 20.4759 178.2022 104 D 4.1830 8.5082 123.3224 56.9840 41.8071 175.7007 105 Y 4.7309 6.9290 114.4803 56.6416 42.0944 172.8485 106 V 4.6945 9.3625 121.9793 61.5016 33.2763 174.3562 107 K 4.8632 9.2049 130.0423 54.5265 34.7300 174.5925 108 V 4.6923 8.0896 127.3457 61.5844 33.1951 174.4257 109 L 4.5693 8.7312 127.9278 53.1846 44.2326 176.4070 110 G 3.9925 8.3711 110.6931 44.7531 0.0000 171.2054 111 A 4.6689 8.7794 125.3141 51.7295 21.8822 176.2710 112 G 4.0106 9.0292 108.5977 44.2429 0.0000 172.2448 113 Q 4.6221 8.2514 118.0135 54.1041 31.6650 175.6932 114 V 4.1920 7.8950 118.3961 61.4728 32.0457 174.9860 115 R 4.2662 8.1597 124.2851 56.3982 30.1420 175.5654 116 H 5.1036 7.6265 114.4572 54.0891 33.0699 172.5707 117 E 4.7704 8.8441 118.5701 54.7553 30.0412 175.6947 118 L 4.9702 8.4338 124.9050 53.1508 44.8610 175.8772 119 T 4.9546 9.1538 121.1365 62.2399 70.1316 173.3092 120 L 5.2693 8.9074 127.3970 52.9204 44.8751 175.8089 121 I 5.7401 8.5120 122.6783 58.9907 40.0271 174.6672 122 A 4.7421 8.5606 126.6178 51.2388 22.3500 176.4257 123 D 4.3786 8.5520 118.3876 57.3402 42.0817 176.5963 124 D 4.9222 7.2820 115.4254 53.1989 44.6215 174.1091 125 F 5.5338 9.1530 121.4659 54.6839 43.6158 173.8180 126 S 4.8029 8.5207 113.7334 56.7694 65.5722 174.6815 127 E 3.9804 9.2160 121.5528 60.0659 29.2502 179.8575 128 G 3.8121 8.2897 104.4199 48.1841 0.0000 174.7682 129 A 4.0624 7.9913 122.4446 55.4108 18.5108 179.2205 130 R 3.7589 8.7880 115.9829 59.3992 30.3092 178.8019 131 E 3.9210 9.1600 118.6116 59.9259 29.2140 180.1786 132 K 4.0134 8.1941 118.0393 59.3061 32.0876 179.7547 133 V 3.4615 7.7542 118.3860 66.0392 31.4714 177.9314 134 E 4.7139 7.5765 119.7214 58.9934 29.1507 179.5712 135 G 3.8129 7.8574 103.4022 46.5664 0.0000 173.6720 136 A 4.6660 7.4386 123.8074 51.7524 19.5577 176.7655 137 G 3.6866 8.3533 105.9408 48.6552 0.0000 174.0388 138 G 4.4753 7.7861 106.9159 43.9929 0.0000 172.8088 139 S 4.9941 8.8620 112.5956 56.5729 66.9495 173.5039 140 V 4.4316 8.1423 120.5399 61.2694 33.6680 174.2500 141 E 4.5186 9.5273 129.5699 54.7030 31.3634 175.0360 142 L 5.0484 8.4354 127.2914 54.4182 43.1815 176.4415 143 T 4.1421 8.9801 123.6503 63.5830 69.7102 175.1374 144 D 4.3800 8.7903 121.6747 57.3910 41.0139 179.0032 145 L 4.0652 7.9211 119.9815 57.4721 42.2905 177.7963 146 G 3.9782 7.8796 106.1656 46.6759 0.0000 174.2189 147 E 4.3656 7.5905 121.2508 56.2633 28.8129 178.0050 148 E 4.7737 7.5888 115.0923 54.9732 30.7095 177.7805 149 R 4.6227 7.4102 117.7044 52.4029 31.6931 174.2579 150 Q 4.8623 8.0404 130.2530 56.6903 30.8369 173.1756 *151 A 4.1219 7.9903 124.3190 52.3151 18.9111 175.8943 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 T 8.16 4.33 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 1.21 0.00 0.00 2 S 8.09 4.64 0.00 4.05 3.94 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 0.00 0.00 0.00 3 K 9.64 3.81 0.00 1.83 1.89 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.57 7.81 4 K 8.06 3.97 0.00 1.84 1.86 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.51 7.81 5 K 7.95 3.95 0.00 1.73 2.03 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.53 7.81 6 R 7.37 4.39 0.00 1.87 1.92 0.00 3.21 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 7 Q 8.02 4.05 0.00 2.07 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 7.00 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 8 R 7.36 4.07 0.00 1.78 1.87 0.00 3.35 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 9 G 9.12 3.98 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 0.00 0.00 0.00 10 S 7.53 4.37 0.00 3.93 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 11 R 7.95 3.89 0.00 1.94 2.04 0.00 3.21 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 12 T 7.56 4.39 4.31 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 1.31 0.00 0.00 13 H 8.45 4.84 0.00 3.15 3.45 0.00 5.63 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 14 G 8.45 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 15 G 8.76 4.05 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 0.00 0.00 0.00 16 G 7.53 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 17 S 8.57 4.18 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 18 H 8.89 4.40 0.00 3.31 3.39 0.00 5.57 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.83 4.10 0.00 1.78 1.84 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.48 7.81 20 N 7.72 4.44 0.00 2.88 2.60 0.00 0.00 6.93 7.52 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 21 R 7.49 4.23 0.00 1.74 1.87 0.00 3.12 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 22 R 7.43 4.61 0.00 1.72 1.02 0.00 3.28 0.00 0.00 3.20 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 23 G 8.52 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 0.00 0.00 0.00 24 A 8.64 4.27 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 25 G 8.09 3.54 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 0.00 26 H 7.88 4.51 0.00 3.14 3.52 0.00 5.91 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.36 4.37 0.00 1.90 1.91 0.00 3.31 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 28 G 8.76 3.75 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 0.00 0.00 0.00 29 G 8.28 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 0.00 0.00 0.00 30 R 8.63 4.01 0.00 1.91 1.81 0.00 3.39 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 31 G 8.24 3.81 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 0.00 0.00 0.00 32 D 8.74 4.71 0.00 2.70 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 33 A 7.65 4.00 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 34 G 8.83 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 35 R 7.64 3.83 0.00 1.94 2.32 0.00 2.76 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 36 D 7.90 5.07 0.00 2.75 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 37 K 7.21 4.58 0.00 1.78 0.89 0.00 1.74 0.00 0.00 1.89 0.00 0.00 2.98 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.43 1.37 7.81 38 H 9.43 4.48 0.00 3.31 3.49 0.00 5.47 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.05 4.73 0.00 1.99 1.86 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 0.00 2.21 2.07 0.00 40 F 8.02 4.39 0.00 3.27 3.36 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 41 H 6.40 3.88 0.00 3.03 3.08 0.00 5.74 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.88 4.26 0.00 2.86 2.94 0.00 0.00 6.96 8.16 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 43 H 7.78 4.66 0.00 3.27 3.26 0.00 5.89 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.94 3.83 0.00 1.96 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 2.34 2.35 0.00 45 P 0.00 4.34 0.00 2.18 2.12 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 46 L 8.16 4.22 0.00 1.66 1.64 0.92 0.95 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 47 G 8.29 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.16 4.44 0.00 1.77 1.76 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.42 7.81 49 S 8.11 4.34 0.00 3.78 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 50 G 8.86 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 0.00 0.00 0.00 51 F 9.00 5.12 0.00 3.13 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 52 K 8.11 4.19 0.00 1.59 1.53 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.23 1.38 7.81 53 R 7.83 4.46 0.00 1.61 1.74 0.00 3.32 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.99 0.00 54 P 0.00 4.12 0.00 2.19 2.22 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 55 Q 9.02 3.91 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.05 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 56 K 7.96 4.21 0.00 1.85 1.90 0.00 1.54 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.41 7.81 57 V 7.84 4.10 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 0.80 0.00 0.00 0.92 0.00 0.00 58 Q 7.64 4.43 0.00 2.22 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.53 6.54 0.00 0.00 0.00 0.00 0.00 2.24 2.46 0.00 59 E 8.62 4.08 0.00 1.88 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.26 0.00 60 E 8.43 4.39 0.00 1.95 1.73 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 2.20 2.22 0.00 61 A 8.21 4.48 1.07 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 62 A 8.95 4.54 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 63 T 8.11 5.60 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 1.22 0.00 0.00 64 I 7.85 4.35 1.85 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 1.33 1.19 0.87 0.00 0.00 65 D 8.48 5.85 0.00 2.64 2.72 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 0.00 0.00 0.00 0.00 66 V 8.63 3.62 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 0.90 0.00 0.00 1.00 0.00 0.00 67 R 7.86 3.89 0.00 2.06 1.94 0.00 3.09 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 68 E 8.15 3.87 0.00 2.11 2.00 0.00 0.00 0.00 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 2.34 0.00 69 I 7.69 3.55 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 1.53 0.82 0.92 0.00 0.00 70 D 9.00 4.47 0.00 2.83 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.51 4.11 0.00 2.04 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 2.34 2.62 0.00 72 N 7.69 5.02 0.00 2.63 2.73 0.00 0.00 6.84 8.65 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 73 V 7.88 3.52 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 0.66 0.00 0.00 0.53 0.00 0.00 74 T 7.55 3.87 4.23 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 75 L 7.40 4.27 0.00 1.78 1.74 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.40 4.70 0.00 1.79 1.61 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.77 4.22 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 78 A 7.91 4.45 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 79 D 8.11 4.63 0.00 2.75 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.40 4.19 0.00 2.92 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.29 4.10 1.91 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 0.29 0.00 0.00 0.84 0.00 0.00 82 A 7.89 4.66 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 83 E 8.92 3.77 0.00 1.99 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 2.25 1.95 0.00 *89 F 7.75 4.60 0.00 2.97 3.10 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 90 R 8.49 5.27 0.00 1.75 1.79 0.00 3.23 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 91 V 8.92 4.44 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 0.66 0.00 0.00 0.96 0.00 0.00 92 D 8.92 4.44 0.00 2.73 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 93 V 8.70 3.58 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 0.86 0.00 0.00 1.03 0.00 0.00 94 R 7.75 3.91 0.00 2.06 2.01 0.00 3.22 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 95 D 8.29 4.65 0.00 2.80 2.71 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 96 V 8.19 4.11 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 0.75 0.00 0.00 0.94 0.00 0.00 97 V 7.68 3.64 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 0.84 0.00 0.00 0.98 0.00 0.00 98 E 8.52 4.36 0.00 1.98 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 2.26 2.31 0.00 99 E 8.92 3.88 0.00 2.19 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 2.24 2.27 0.00 100 A 7.86 4.35 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 0.00 101 D 8.00 4.62 0.00 2.69 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.02 4.74 0.00 2.75 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 0.00 103 A 7.34 4.69 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 0.00 104 D 8.51 4.18 0.00 2.51 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 0.00 0.00 0.00 0.00 105 Y 6.93 4.73 0.00 3.04 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 0.00 106 V 9.36 4.69 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 0.86 0.00 0.00 0.94 0.00 0.00 107 K 9.20 4.86 0.00 1.85 1.68 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.41 7.81 108 V 8.09 4.69 1.86 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 1.01 0.00 0.00 0.67 0.00 0.00 109 L 8.73 4.57 0.00 1.93 1.55 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.37 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 0.00 111 A 8.78 4.67 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 0.00 112 G 9.03 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 0.00 0.00 0.00 113 Q 8.25 4.62 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.96 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 114 V 7.89 4.19 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 0.92 0.00 0.00 0.94 0.00 0.00 115 R 8.16 4.27 0.00 1.75 1.82 0.00 3.08 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 116 H 7.63 5.10 0.00 2.98 3.23 0.00 5.68 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.84 4.77 0.00 1.91 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 2.31 2.29 0.00 118 L 8.43 4.97 0.00 1.62 1.61 1.01 0.73 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 0.00 119 T 9.15 4.95 4.35 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 1.23 0.00 0.00 120 L 8.91 5.27 0.00 1.81 1.82 1.06 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.51 5.74 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.59 0.97 0.00 0.00 122 A 8.56 4.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.55 4.38 0.00 2.62 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 0.00 124 D 7.28 4.92 0.00 2.44 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 0.00 0.00 0.00 125 F 9.15 5.53 0.00 2.80 2.94 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 0.00 0.00 0.00 126 S 8.52 4.80 0.00 3.90 3.98 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 0.00 127 E 9.22 3.98 0.00 2.04 2.09 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 2.42 2.44 0.00 128 G 8.29 3.81 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 0.00 0.00 0.00 129 A 7.99 4.06 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 0.00 130 R 8.79 3.76 0.00 1.96 1.92 0.00 3.15 0.00 0.00 3.10 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.65 0.00 131 E 9.16 3.92 0.00 2.05 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 2.34 2.40 0.00 132 K 8.19 4.01 0.00 2.02 1.86 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.62 7.81 133 V 7.75 3.46 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 1.05 0.00 0.00 1.04 0.00 0.00 134 E 7.58 4.71 0.00 2.06 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 0.00 2.28 2.28 0.00 135 G 7.86 3.81 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 0.00 0.00 0.00 136 A 7.44 4.67 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 0.00 137 G 8.35 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.79 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 0.00 0.00 0.00 0.00 139 S 8.86 4.99 0.00 3.80 3.88 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 0.00 140 V 8.14 4.43 1.65 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 -1.02 0.00 0.00 0.52 0.00 0.00 141 E 9.53 4.52 0.00 1.91 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 2.23 2.21 0.00 142 L 8.44 5.05 0.00 1.66 1.60 1.28 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.98 4.14 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 1.26 0.00 0.00 144 D 8.79 4.38 0.00 2.72 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 0.00 145 L 7.92 4.07 0.00 1.62 1.89 0.98 1.07 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 0.00 146 G 7.88 3.98 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 0.00 0.00 0.00 147 E 7.59 4.37 0.00 2.18 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 2.35 2.44 0.00 148 E 7.59 4.77 0.00 1.85 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 2.21 2.50 0.00 149 R 7.41 4.62 0.00 1.72 1.80 0.00 3.31 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.75 0.00 150 Q 8.04 4.86 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 *151 A 7.99 4.12 1.24 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.