NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 K 4.1568 8.1727 121.7784 55.4421 32.7946 176.0965 8 K 3.8248 8.5124 119.9222 57.2349 32.1491 175.3097 9 G 3.3060 8.9258 114.2938 45.9854 0.0000 173.7912 10 D 4.3675 7.2245 120.8342 53.1583 38.2037 176.0871 11 Y 4.6184 7.3078 122.6066 59.8585 38.4580 177.2429 12 A 4.1040 8.1274 121.6025 55.2849 18.5528 179.7012 13 G 3.6629 8.4372 104.2358 47.9280 0.0000 176.1033 14 G 3.6643 8.2921 107.9038 47.3870 0.0000 175.6520 15 A 4.0139 8.4583 123.6243 55.0539 18.4046 179.8784 16 V 3.6083 7.9722 116.7578 66.0146 31.5253 178.3733 17 K 4.0041 8.2073 118.2555 59.5019 31.8314 179.3216 18 I 3.7555 7.7594 119.9468 64.4540 37.0252 178.4705 19 L 4.2196 8.4364 120.1994 58.0258 41.5165 179.3134 20 D 4.4618 8.6635 119.2431 57.7470 40.7796 178.8355 21 M 4.6211 8.1377 120.5388 57.6963 32.0150 178.4328 22 F 4.2623 8.6894 121.2547 61.6791 39.3965 177.2043 23 E 3.6059 8.2517 116.4612 58.8698 29.3325 178.2864 24 N 4.5840 7.8187 114.3678 53.4091 38.8717 176.1286 25 G 3.8738 7.5550 108.5400 45.6295 0.0000 174.7718 26 Q 4.1125 8.2235 120.3099 57.4651 29.0443 176.1030 27 L 5.1027 7.7819 116.2396 52.8802 44.3536 175.4802 28 G 4.3033 8.7270 109.6281 43.9270 0.0000 171.1747 29 Y 4.9560 8.8927 119.8047 55.1660 40.8969 174.2446 30 P 3.3438 0.0000 0.0000 62.4734 31.6118 177.1738 31 E 3.8431 8.1065 121.1723 59.9141 29.3067 179.1764 32 V 3.6546 7.9758 119.0239 65.2307 31.3880 178.4811 33 T 3.9301 7.7729 110.2868 63.9940 68.8523 176.5924 34 L 3.9244 7.9784 121.9771 57.5280 41.7601 179.6064 35 K 3.9655 8.1804 118.4558 59.4350 31.9468 179.4176 36 L 3.9877 8.0973 119.0889 57.7828 41.4432 179.3973 37 A 4.2525 8.4596 121.2249 55.0557 18.2679 179.8929 38 G 3.5159 7.9440 104.2050 48.0119 0.0000 175.8482 39 E 3.8721 8.0429 120.8509 58.9659 29.4444 178.8079 40 E 3.9087 8.5155 119.5648 59.4509 29.5455 178.8648 41 A 3.9195 8.2526 120.8585 55.0714 18.4123 179.2943 42 N 3.8349 7.9679 114.7306 56.1702 38.4423 177.3611 43 A 4.2728 7.9298 122.3713 55.2091 18.4816 179.4914 44 R 3.8282 8.0714 117.2123 59.8843 29.9417 178.9229 45 R 3.9193 7.9249 116.1667 59.0813 30.1416 178.3929 46 A 4.3491 8.0276 118.7067 52.4481 18.6770 178.2355 47 G 3.8667 7.7676 105.0580 46.8057 0.0000 175.5860 48 D 4.7128 8.0100 121.8929 52.7807 37.9154 176.3895 49 E 4.0143 8.0627 123.8600 59.3033 30.2199 178.0619 50 R 4.0479 8.0307 117.6769 59.3917 30.2365 178.9913 51 T 4.0173 8.0224 115.2131 66.4579 68.4871 176.1341 52 K 3.8897 8.2669 121.6371 59.9129 32.1904 178.6272 53 E 3.9616 8.3699 118.3472 59.2048 29.3899 179.2276 54 A 4.0099 8.4383 121.2295 55.2411 18.4130 179.7662 55 I 3.6723 7.9787 118.3677 64.7147 37.1951 178.0194 56 H 4.0482 8.5426 119.0488 59.2932 29.6676 177.0956 57 A 4.0369 8.2115 122.4438 55.2543 18.1340 179.7343 58 I 3.7362 7.7430 118.2070 64.4341 37.1051 178.6915 59 V 3.5234 8.0627 119.4908 65.9268 31.2340 177.8600 60 K 3.8661 8.0285 119.1502 59.8510 31.9995 178.6229 61 M 4.0593 7.9244 118.7656 58.4650 31.9138 178.9032 62 I 3.6438 7.9674 120.0816 64.3991 37.0484 178.5247 63 S 4.1706 8.1135 115.0705 61.9224 62.9011 176.3331 64 D 4.4748 8.3784 121.3237 57.3638 40.3551 178.7646 65 A 4.1046 7.8565 120.1062 54.9227 18.6106 178.8924 66 M 4.1965 7.8004 116.1840 56.5376 32.0800 178.5247 67 K 3.8636 7.5928 119.6195 59.2622 32.1524 177.1859 68 P 4.2563 0.0000 0.0000 64.5773 31.1832 176.5266 69 Y 4.4276 7.4950 114.0111 57.3768 38.1300 175.6866 70 R 3.8557 7.7413 120.4210 56.5606 30.0276 176.0771 *78 S 4.6627 8.3542 117.6736 58.3910 63.5891 172.6864 79 Q 4.8431 8.6843 122.4115 54.0216 31.9698 172.1501 80 P 4.6692 0.0000 0.0000 62.9304 32.2961 175.8432 81 I 3.9145 8.1611 122.2973 60.2188 38.0337 174.5767 82 P 4.2054 0.0000 0.0000 62.1490 31.9832 177.4229 83 G 3.6840 8.7747 108.8962 48.2642 0.0000 175.6248 84 E 3.9270 8.0792 120.1138 59.2452 29.3899 179.5914 85 V 3.5338 7.4438 117.9299 65.9120 31.5595 178.0548 86 I 3.3548 7.5599 118.8572 64.2211 37.0414 178.0330 87 A 3.8961 8.0558 121.5886 55.1042 18.0054 179.4269 88 Q 3.8524 7.9121 116.7427 59.3046 29.5003 178.3418 89 V 3.6324 7.9259 119.6105 66.2770 31.4191 178.1784 90 T 3.8116 7.6454 107.7435 64.3708 68.6571 175.8693 91 S 4.5277 7.7028 115.9406 58.4431 63.4221 173.6322 92 N 4.5560 7.7736 122.3403 52.4325 39.0581 173.7895 93 P 4.6085 0.0000 0.0000 65.0720 31.3924 178.2282 94 E 3.9397 8.7385 118.4590 59.1832 29.4187 178.2935 95 Y 4.0259 8.1772 119.2104 60.7890 39.1581 177.5917 96 Q 4.0173 8.3976 118.9857 59.2100 28.8012 179.0975 97 Q 4.0930 8.3749 118.8031 58.9191 28.7646 178.7686 98 A 3.9893 8.0452 121.7785 54.9651 18.3824 179.6194 99 K 3.7266 8.0694 118.2720 59.5311 32.2517 178.8877 100 A 3.9794 8.1129 121.1311 55.0373 18.0343 179.3807 101 F 4.1419 8.2124 118.3834 61.5796 39.5908 177.1553 102 L 3.9318 7.9840 117.1806 57.5200 41.4770 178.9656 103 A 4.1073 7.9214 119.8626 53.1899 19.0591 178.1647 104 S 4.1810 7.1451 112.6388 57.5182 64.0746 173.3702 105 P 4.1379 0.0000 0.0000 65.9634 31.0816 178.5890 106 A 3.9489 7.9294 118.6279 55.5685 18.2884 179.7213 107 T 3.5958 7.3403 113.9415 66.7608 68.3949 177.0784 108 Q 4.0118 7.8743 119.9261 58.8797 28.7283 178.9483 109 V 3.4963 8.1209 119.6261 66.1000 31.3299 177.9365 110 R 3.9385 7.7297 117.0082 59.5790 29.9784 177.9501 111 N 4.7384 8.0255 117.5653 55.7235 38.3283 177.5823 112 I 3.6219 7.6523 120.4061 64.3208 37.3389 178.0913 113 E 4.1003 8.5189 117.9282 58.0618 29.2869 177.8492 114 R 4.3524 7.3970 122.9578 56.1620 30.6276 175.5503 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 7 K 8.17 4.16 0.00 1.77 1.46 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.41 7.81 8 K 8.51 3.82 0.00 1.80 1.67 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.48 7.81 9 G 8.93 3.31 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 0.00 10 D 7.22 4.37 0.00 2.63 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 7.31 4.62 0.00 3.08 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.13 4.10 1.28 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 0.00 0.00 13 G 8.44 3.66 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 0.00 0.00 0.00 14 G 8.29 3.66 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 0.00 0.00 0.00 15 A 8.46 4.01 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 16 V 7.97 3.61 2.22 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 1.09 0.00 0.00 0.99 0.00 0.00 17 K 8.21 4.00 0.00 2.05 1.87 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.63 7.81 18 I 7.76 3.76 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.85 0.95 0.00 0.00 19 L 8.44 4.22 0.00 1.89 1.95 0.86 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.66 4.46 0.00 2.87 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 21 M 8.14 4.62 0.00 2.14 2.34 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 2.88 2.70 0.00 22 F 8.69 4.26 0.00 3.13 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 23 E 8.25 3.61 0.00 2.13 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 2.36 2.83 0.00 24 N 7.82 4.58 0.00 2.86 2.84 0.00 0.00 7.10 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 25 G 7.56 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 0.00 0.00 0.00 26 Q 8.22 4.11 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.65 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 27 L 7.78 5.10 0.00 1.73 1.69 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.73 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.89 4.96 0.00 3.00 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 30 P 0.00 3.34 0.00 1.89 1.43 0.00 3.67 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.79 0.00 31 E 8.11 3.84 0.00 2.04 2.22 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 2.41 2.40 0.00 32 V 7.98 3.65 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 0.95 0.00 0.00 0.79 0.00 0.00 33 T 7.77 3.93 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 1.31 0.00 0.00 34 L 7.98 3.92 0.00 1.78 1.70 0.83 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.18 3.97 0.00 2.00 1.86 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.63 7.81 36 L 8.10 3.99 0.00 1.80 1.70 0.84 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.46 4.25 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 38 G 7.94 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.04 3.87 0.00 2.18 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 2.50 2.50 0.00 40 E 8.52 3.91 0.00 2.09 2.16 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 2.32 2.52 0.00 41 A 8.25 3.92 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 42 N 7.97 3.83 0.00 2.05 1.42 0.00 0.00 6.90 6.81 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 43 A 7.93 4.27 1.48 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 44 R 8.07 3.83 0.00 1.98 2.07 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 45 R 7.92 3.92 0.00 1.90 1.96 0.00 3.18 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 46 A 8.03 4.35 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.77 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 0.00 0.00 0.00 48 D 8.01 4.71 0.00 2.82 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 49 E 8.06 4.01 0.00 2.05 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 2.39 2.41 0.00 50 R 8.03 4.05 0.00 2.17 2.22 0.00 3.40 0.00 0.00 3.46 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.81 0.00 51 T 8.02 4.02 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 52 K 8.27 3.89 0.00 1.84 2.07 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.50 7.81 53 E 8.37 3.96 0.00 2.20 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 2.30 2.47 0.00 54 A 8.44 4.01 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.98 3.67 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.87 0.95 0.00 0.00 56 H 8.54 4.05 0.00 3.47 3.48 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.21 4.04 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 58 I 7.74 3.74 2.01 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 1.42 0.73 1.02 0.00 0.00 59 V 8.06 3.52 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 1.06 0.00 0.00 0.98 0.00 0.00 60 K 8.03 3.87 0.00 1.89 1.97 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 61 M 7.92 4.06 0.00 2.17 2.30 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.62 0.00 62 I 7.97 3.64 1.78 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.77 0.81 0.00 0.00 63 S 8.11 4.17 0.00 3.98 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 64 D 8.38 4.47 0.00 2.87 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 65 A 7.86 4.10 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 66 M 7.80 4.20 0.00 1.30 1.54 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 2.48 0.00 67 K 7.59 3.86 0.00 1.83 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.66 7.81 68 P 0.00 4.26 0.00 1.36 1.83 0.00 3.82 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.09 0.00 69 Y 7.49 4.43 0.00 3.03 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 70 R 7.74 3.86 0.00 1.89 1.94 0.00 3.29 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 *78 S 8.35 4.66 0.00 3.91 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 79 Q 8.68 4.84 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.70 0.00 0.00 0.00 0.00 0.00 2.57 2.39 0.00 80 P 0.00 4.67 0.00 2.07 2.09 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 81 I 8.16 3.91 1.76 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.95 0.90 0.00 0.00 82 P 0.00 4.21 0.00 1.60 1.58 0.00 3.24 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.54 0.00 83 G 8.77 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 0.00 0.00 0.00 84 E 8.08 3.93 0.00 2.03 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 2.42 2.37 0.00 85 V 7.44 3.53 2.03 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 1.13 0.00 0.00 0.67 0.00 0.00 86 I 7.56 3.35 1.77 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.23 0.62 0.00 0.00 87 A 8.06 3.90 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 88 Q 7.91 3.85 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 89 V 7.93 3.63 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 0.46 0.00 0.00 0.96 0.00 0.00 90 T 7.65 3.81 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 1.17 0.00 0.00 91 S 7.70 4.53 0.00 4.12 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 92 N 7.77 4.56 0.00 2.90 2.95 0.00 0.00 7.05 7.32 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 93 P 0.00 4.61 0.00 2.22 2.12 0.00 3.96 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.03 0.00 94 E 8.74 3.94 0.00 2.06 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 2.33 2.32 0.00 95 Y 8.18 4.03 0.00 3.15 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 96 Q 8.40 4.02 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.54 2.80 0.00 97 Q 8.37 4.09 0.00 2.25 2.14 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 2.39 2.57 0.00 98 A 8.05 3.99 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 99 K 8.07 3.73 0.00 1.19 1.53 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.37 1.36 7.81 100 A 8.11 3.98 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 0.00 101 F 8.21 4.14 0.00 3.03 3.31 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 0.00 102 L 7.98 3.93 0.00 1.79 1.69 0.94 0.78 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 0.00 103 A 7.92 4.11 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 S 7.15 4.18 0.00 3.96 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 0.00 105 P 0.00 4.14 0.00 2.14 2.13 0.00 3.57 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 106 A 7.93 3.95 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 0.00 107 T 7.34 3.60 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 0.80 0.00 0.00 108 Q 7.87 4.01 0.00 2.03 2.23 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 2.29 2.50 0.00 109 V 8.12 3.50 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 0.92 0.00 0.00 0.95 0.00 0.00 110 R 7.73 3.94 0.00 1.99 2.07 0.00 3.33 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 111 N 8.03 4.74 0.00 2.85 2.87 0.00 0.00 6.70 6.73 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 0.00 112 I 7.65 3.62 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.45 0.85 0.00 0.00 113 E 8.52 4.10 0.00 1.90 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 2.48 0.00 114 R 7.40 4.35 0.00 1.93 1.82 0.00 3.21 0.00 0.00 3.57 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.80 0.00 * Residues marked with a * may have inaccurate shift predictions.