NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 Q 4.3285 8.3449 119.1138 53.7323 29.8833 174.8981 24 P 4.1406 0.0000 0.0000 60.7465 31.8859 173.8907 25 P 4.0789 0.0000 0.0000 63.4974 32.5183 175.3920 26 Q 4.3408 8.0005 118.3352 54.8235 30.6646 174.3945 27 D 4.4649 7.9076 118.0734 52.1793 42.6802 175.3488 28 L 4.1287 8.4670 127.2964 57.4254 41.8781 178.9130 29 A 3.9889 8.1075 120.0872 55.2119 18.3778 179.4383 30 A 3.9208 8.4037 119.2872 55.1085 18.4308 179.6738 31 E 4.0796 8.2397 117.2340 59.7934 29.5173 179.5903 32 Q 3.8754 8.1289 117.9241 59.1461 28.7508 179.1512 33 S 3.8788 7.9238 116.1104 61.1874 62.6548 176.8608 34 V 3.6617 7.9178 121.0669 66.1820 31.3904 178.1252 35 L 4.1303 7.9927 118.7567 57.6298 41.2907 179.7915 36 G 3.6292 8.4011 106.1480 47.6648 0.0000 175.7945 37 G 3.7650 8.1828 108.6034 47.9968 0.0000 175.6490 38 M 4.1191 7.9537 120.0268 57.9479 32.0290 178.6331 39 L 4.2528 7.8919 117.9037 56.9214 41.8247 178.5946 40 L 4.4679 7.3610 118.0840 54.8996 42.5040 176.9604 41 S 4.4821 7.8163 115.7938 56.1138 65.4611 175.0632 42 K 4.0283 9.0289 132.9894 60.2356 30.9469 175.0862 43 D 4.6275 7.8077 119.3138 57.3747 40.7377 178.9029 44 A 4.2614 7.8977 120.4192 54.5915 18.3040 179.6665 45 I 3.4546 7.4584 118.4576 64.4167 36.9788 178.2282 46 A 3.9536 7.8011 120.8757 55.4252 18.0679 179.0830 47 D 4.3501 7.5144 115.2418 57.5264 41.0849 179.2292 48 V 3.8191 7.8973 118.7775 65.8735 31.5352 178.1046 49 L 4.1776 7.9350 117.5715 58.1369 40.3421 178.2370 50 E 4.0732 7.9207 119.9862 58.5937 29.5941 177.2669 51 R 4.5080 8.5537 115.7946 55.5926 32.1637 175.8093 52 L 4.8985 7.7856 116.5206 52.7655 44.4596 175.5168 53 R 4.7874 8.5951 120.0054 52.9750 33.3718 173.6131 54 P 4.3938 0.0000 0.0000 64.8955 30.0485 176.9514 55 G 4.0385 9.2190 109.3014 45.5360 0.0000 174.7650 56 D 4.4003 7.6061 118.7538 56.4899 41.0308 176.8473 57 F 4.3199 7.3437 118.1696 56.8072 39.8333 175.1884 58 Y 4.2645 9.6563 127.4935 60.5581 39.1521 176.6394 59 R 3.9769 7.9825 119.7394 54.8624 31.3804 174.8396 60 P 4.2000 0.0000 0.0000 65.8381 31.4402 178.3027 61 A 3.9838 7.9465 118.8263 55.6945 18.1652 179.2973 62 H 4.1554 8.0409 114.1020 58.9100 28.7888 177.6101 63 Q 3.8029 7.8413 120.9657 59.1013 28.8331 178.1041 64 N 4.3083 8.2960 117.5952 56.2201 38.6147 177.5072 65 V 3.5249 7.7546 119.5175 66.0951 31.6657 177.2128 66 Y 3.9941 7.8571 119.2582 61.0250 38.5921 177.9683 67 D 4.3356 8.4286 119.4899 57.2738 40.8793 178.7024 68 A 3.9831 8.1657 121.3149 55.0701 18.3133 179.7305 69 I 3.5497 7.6661 118.2057 64.6454 37.2440 178.6120 70 L 4.0444 7.7323 122.1304 58.3730 40.8362 179.9547 71 D 4.3774 8.1660 120.9772 58.6242 39.6979 181.1388 72 L 4.2404 7.8852 120.8059 57.5341 41.6084 178.9453 73 Y 4.2179 8.5161 120.1041 60.8737 38.5307 178.6509 74 G 3.6546 8.5778 105.7698 46.7042 0.0000 174.5878 75 R 4.6143 7.4770 115.8752 55.4740 30.6581 176.3549 76 G 3.8883 7.5572 105.1303 47.2659 0.0000 174.0345 77 E 4.5054 8.1206 118.4133 53.6274 30.8629 174.8247 78 P 4.2898 0.0000 0.0000 62.8141 31.9168 176.2678 79 A 4.5311 8.4331 124.4242 50.2932 19.1149 174.5898 80 D 4.9377 8.4885 120.6871 51.1352 42.7520 176.9226 81 A 3.8730 8.4851 119.3823 55.3027 18.0909 180.0016 82 V 3.5898 7.7876 116.4823 66.3286 31.7603 178.3199 83 T 3.8973 8.3284 109.6927 64.8068 68.7337 176.7170 84 V 3.5226 7.9923 121.1474 65.4603 31.4685 177.8104 85 A 3.9669 7.7544 120.0564 55.1307 18.2723 179.3988 86 A 3.9173 7.8592 118.9086 55.2795 18.3273 179.3880 87 E 3.8786 8.4635 118.0696 59.5944 29.7360 179.1624 88 L 4.0102 8.0792 118.9396 57.6151 41.6243 179.0214 89 D 4.3156 8.3233 118.3471 57.2679 40.9651 178.0412 90 R 3.9125 7.8617 118.1837 59.5454 30.1402 177.9658 91 R 4.2693 7.5937 115.0781 55.9732 30.3027 177.0799 92 G 3.9024 7.8304 106.7639 46.8642 0.0000 174.8889 93 L 4.6103 8.2712 118.0526 54.0073 42.4306 178.0150 94 L 4.0993 7.8555 124.1342 58.8313 42.0750 179.2438 95 R 3.9400 8.0288 120.0678 61.4650 28.9643 180.3724 96 R 4.0877 7.8838 117.2769 59.3203 30.2963 177.9539 97 I 4.0068 7.2726 109.8443 61.5541 37.9867 176.6544 98 G 3.8777 7.5661 108.9744 45.0596 0.0000 174.3435 99 G 3.8489 8.5552 107.9558 44.1246 0.0000 174.4476 100 A 4.0561 8.4815 119.9354 54.7134 18.7343 178.1192 101 P 4.3330 0.0000 0.0000 65.9991 31.2371 178.0183 102 Y 4.3647 7.9996 118.0268 60.7482 38.7657 178.0716 103 L 3.7556 7.7254 119.9474 58.0870 41.5200 179.2866 104 H 4.1791 8.0421 115.6787 59.0355 28.4872 177.7907 105 T 3.9095 7.7294 116.8820 66.3782 68.4801 176.4976 106 L 3.8966 7.6418 120.9686 57.7334 41.7632 179.3162 107 I 3.6516 7.4202 119.4917 64.6560 36.9134 178.1915 108 S 4.3893 7.5769 112.7346 60.3519 62.7193 175.8891 109 T 4.1649 7.5024 117.9118 64.1916 68.7755 175.0025 110 V 4.5611 6.9164 112.3099 58.7487 35.5757 174.0474 111 P 4.3610 0.0000 0.0000 65.3308 31.3598 176.4112 112 T 4.6675 7.4240 103.8142 60.1194 71.6825 172.6627 113 A 4.5478 8.3909 120.7771 52.2740 18.8234 179.2680 114 A 4.0623 8.1729 124.2510 56.5593 18.7043 179.2135 115 N 4.8400 8.1935 111.0614 53.4109 39.1669 176.7983 116 A 4.2975 8.0157 122.8940 55.4135 18.3747 180.8318 117 G 3.6150 8.1463 103.7258 48.0088 0.0000 175.0813 118 Y 4.0333 7.9618 121.3962 60.8299 38.9016 177.7450 119 Y 3.9255 8.1536 117.3899 60.8165 37.8196 178.3092 120 A 3.9958 8.1609 122.2361 54.9144 18.4641 179.8013 121 S 3.9855 8.0883 112.9852 61.5812 63.0050 176.9151 122 I 3.5497 7.2403 123.4753 64.0287 36.8367 178.5763 123 V 3.4346 7.6476 118.8853 65.6579 31.2685 177.8732 124 A 3.8276 8.0935 120.8786 55.0437 18.2522 178.9684 125 E 3.7937 8.0422 117.6606 59.6726 29.6731 179.3126 126 K 3.9092 8.0801 117.9947 59.3433 32.0603 179.2742 127 A 3.9519 8.0450 121.1789 54.7239 18.2085 179.4126 128 L 3.8319 7.9289 118.9715 58.4994 42.2756 179.2270 129 L 3.9703 7.9736 118.8290 57.7711 41.4099 179.6984 130 R 3.8976 8.1893 118.8314 59.4417 30.0166 178.7992 131 R 3.9252 8.1090 117.9341 58.8989 29.9014 178.8307 132 L 3.9372 8.0669 120.4184 58.0134 42.1265 179.1497 133 V 3.5618 7.7633 118.1430 66.1594 31.4967 177.8445 134 E 3.9687 8.4439 118.2167 59.2397 29.3067 179.1929 135 A 4.0882 8.5109 121.3516 55.0912 18.4899 179.6396 136 G 3.7335 8.2741 104.6684 48.4889 0.0000 175.9785 137 T 3.9528 8.0514 112.5711 64.2871 68.7012 176.8350 138 R 3.8951 8.0066 121.1235 58.8447 30.0424 179.0113 139 V 3.8228 7.9075 118.0989 66.1080 31.5546 177.9662 140 V 3.5002 7.8467 117.9038 66.4812 31.3020 178.0866 141 Q 4.1536 8.0924 117.3640 59.0881 28.4536 178.3906 142 Y 4.4462 8.0197 118.2392 60.9383 37.6510 178.5583 143 G 3.5337 8.0936 106.0381 47.9637 0.0000 175.1707 144 Y 4.4626 7.7723 117.9831 60.5941 37.9799 177.7129 145 A 4.1991 8.1669 121.4645 54.5573 18.9601 178.9535 146 G 3.6995 8.7058 105.2303 46.3829 0.0000 171.8469 147 A 3.4450 8.4828 119.1456 53.4764 15.3292 178.1119 *152 V 4.1561 7.5793 119.1345 60.0352 34.7563 179.0370 153 A 4.1303 8.0827 124.7423 55.7347 18.1282 180.1296 154 E 3.9398 8.0643 116.2544 60.9916 29.8964 181.4211 155 V 3.6149 7.5263 118.0024 65.9124 31.7956 178.1784 156 V 3.5058 7.8585 118.1126 66.0568 31.3395 177.5160 157 D 4.2827 7.9631 117.6423 57.1941 41.0965 178.4789 158 R 3.6702 7.8034 118.4372 59.1668 29.6365 178.8529 159 A 4.1103 7.5088 120.2968 55.2632 18.2106 179.7236 160 Q 4.0425 7.9508 116.1901 58.8994 28.7943 178.4383 161 A 3.9595 8.1849 121.9524 54.9166 17.9761 179.3077 162 E 3.9414 8.1085 117.5265 59.7620 29.7186 179.1626 163 I 3.7144 7.5615 118.3820 63.9811 36.9938 177.5191 164 Y 4.0806 8.2712 122.6810 61.4243 38.5988 178.3669 165 D 4.6339 7.8621 120.4339 58.5147 40.0149 180.3554 166 V 3.8937 7.1314 117.9595 65.6457 31.7083 176.1776 167 A 4.2257 7.9426 123.5720 52.4838 18.3644 176.8779 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 23 Q 8.34 4.33 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.88 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 24 P 0.00 4.14 0.00 1.76 1.99 0.00 3.58 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 2.19 2.20 0.00 25 P 0.00 4.08 0.00 2.14 1.96 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 26 Q 8.00 4.34 0.00 1.86 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.99 0.00 0.00 0.00 0.00 0.00 2.00 2.13 0.00 27 D 7.91 4.46 0.00 2.68 2.52 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 28 L 8.47 4.13 0.00 1.76 1.79 1.05 1.04 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 29 A 8.11 3.99 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 30 A 8.40 3.92 1.52 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 31 E 8.24 4.08 0.00 2.39 2.35 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 2.40 2.68 0.00 32 Q 8.13 3.88 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.50 2.70 0.00 33 S 7.92 3.88 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 34 V 7.92 3.66 2.41 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 1.24 0.00 0.00 1.07 0.00 0.00 35 L 7.99 4.13 0.00 1.77 1.60 0.70 0.79 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 36 G 8.40 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 37 G 8.18 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 0.00 0.00 0.00 38 M 7.95 4.12 0.00 1.96 2.26 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.59 0.00 39 L 7.89 4.25 0.00 1.72 1.67 0.80 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.36 4.47 0.00 1.72 1.72 0.92 0.73 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 41 S 7.82 4.48 0.00 3.83 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 42 K 9.03 4.03 0.00 1.80 1.81 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.11 7.81 43 D 7.81 4.63 0.00 2.83 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 44 A 7.90 4.26 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 45 I 7.46 3.45 1.41 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 1.24 0.56 -0.11 0.00 0.00 46 A 7.80 3.95 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 47 D 7.51 4.35 0.00 2.89 2.79 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 48 V 7.90 3.82 2.34 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 1.32 0.00 0.00 1.04 0.00 0.00 49 L 7.94 4.18 0.00 1.95 1.83 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.92 4.07 0.00 2.17 2.27 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 2.34 2.41 0.00 51 R 8.55 4.51 0.00 1.74 1.89 0.00 3.13 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 52 L 7.79 4.90 0.00 1.59 1.33 0.50 0.63 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 53 R 8.60 4.79 0.00 1.80 1.82 0.00 3.32 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 54 P 0.00 4.39 0.00 2.23 2.17 0.00 3.84 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 2.04 2.05 0.00 55 G 9.22 4.04 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 0.00 0.00 0.00 56 D 7.61 4.40 0.00 2.46 2.39 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 57 F 7.34 4.32 0.00 3.13 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 58 Y 9.66 4.26 0.00 2.83 3.17 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 59 R 7.98 3.98 0.00 1.88 1.57 0.00 3.17 0.00 0.00 3.03 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.72 0.00 60 P 0.00 4.20 0.00 2.12 2.05 0.00 3.51 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 2.00 2.05 0.00 61 A 7.95 3.98 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 62 H 8.04 4.16 0.00 3.37 2.99 0.00 5.65 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 7.84 3.80 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.69 0.00 64 N 8.30 4.31 0.00 2.97 2.85 0.00 0.00 6.64 7.25 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 65 V 7.75 3.52 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 0.92 0.00 0.00 1.04 0.00 0.00 66 Y 7.86 3.99 0.00 2.61 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 67 D 8.43 4.34 0.00 2.88 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 68 A 8.17 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 69 I 7.67 3.55 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.74 0.79 0.00 0.00 70 L 7.73 4.04 0.00 1.55 1.66 0.67 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.17 4.38 0.00 2.69 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 72 L 7.89 4.24 0.00 1.87 1.76 0.94 0.83 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 73 Y 8.52 4.22 0.00 3.07 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 74 G 8.58 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.48 4.61 0.00 1.98 1.99 0.00 3.21 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.60 0.00 76 G 7.56 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.12 4.51 0.00 2.06 1.88 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 2.28 2.33 0.00 78 P 0.00 4.29 0.00 2.18 2.06 0.00 3.71 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 79 A 8.43 4.53 1.25 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 0.00 0.00 0.00 80 D 8.49 4.94 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 81 A 8.49 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.79 3.59 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 1.09 0.00 0.00 0.95 0.00 0.00 83 T 8.33 3.90 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 84 V 7.99 3.52 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 0.97 0.00 0.00 0.93 0.00 0.00 85 A 7.75 3.97 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 86 A 7.86 3.92 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 87 E 8.46 3.88 0.00 2.07 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 0.00 2.45 2.39 0.00 88 L 8.08 4.01 0.00 1.91 1.70 0.93 0.82 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 89 D 8.32 4.32 0.00 2.94 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 90 R 7.86 3.91 0.00 2.02 2.07 0.00 3.31 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 91 R 7.59 4.27 0.00 1.95 1.96 0.00 3.31 0.00 0.00 3.23 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 92 G 7.83 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 0.00 0.00 0.00 93 L 8.27 4.61 0.00 1.73 1.66 0.92 0.52 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 94 L 7.86 4.10 0.00 1.84 1.66 0.97 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.03 3.94 0.00 1.85 1.94 0.00 3.30 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.27 0.00 96 R 7.88 4.09 0.00 1.80 2.09 0.00 3.18 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 97 I 7.27 4.01 2.05 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 1.62 0.91 1.02 0.00 0.00 98 G 7.57 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 0.00 0.00 0.00 99 G 8.56 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 0.00 0.00 0.00 100 A 8.48 4.06 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 0.00 101 P 0.00 4.33 0.00 2.23 2.18 0.00 3.59 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 2.15 2.19 0.00 102 Y 8.00 4.36 0.00 2.97 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 0.00 103 L 7.73 3.76 0.00 1.73 1.55 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.04 4.18 0.00 3.35 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 T 7.73 3.91 4.44 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 1.31 0.00 0.00 106 L 7.64 3.90 0.00 1.58 1.47 0.59 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.42 3.65 1.97 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.22 0.89 0.00 0.00 108 S 7.58 4.39 0.00 3.93 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 0.00 109 T 7.50 4.16 4.32 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 1.11 0.00 0.00 110 V 6.92 4.56 2.26 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 0.59 0.00 0.00 0.93 0.00 0.00 111 P 0.00 4.36 0.00 2.06 2.11 0.00 3.66 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 2.05 2.09 0.00 112 T 7.42 4.67 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 1.22 0.00 0.00 113 A 8.39 4.55 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 0.00 114 A 8.17 4.06 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 0.00 115 N 8.19 4.84 0.00 3.03 2.77 0.00 0.00 7.01 7.08 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 0.00 116 A 8.02 4.30 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 0.00 117 G 8.15 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 0.00 118 Y 7.96 4.03 0.00 2.86 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 0.00 119 Y 8.15 3.93 0.00 3.18 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 0.00 120 A 8.16 4.00 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 0.00 121 S 8.09 3.99 0.00 3.99 4.18 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 0.00 0.00 0.00 0.00 122 I 7.24 3.55 1.86 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 1.02 0.65 0.86 0.00 0.00 123 V 7.65 3.43 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 0.39 0.00 0.00 0.86 0.00 0.00 124 A 8.09 3.83 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 0.00 125 E 8.04 3.79 0.00 2.18 2.02 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 2.26 2.31 0.00 126 K 8.08 3.91 0.00 1.73 1.83 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.53 7.81 127 A 8.04 3.95 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 0.00 128 L 7.93 3.83 0.00 1.84 1.85 0.89 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 129 L 7.97 3.97 0.00 1.83 1.67 0.88 0.69 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 0.00 130 R 8.19 3.90 0.00 2.10 2.05 0.00 3.27 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.66 0.00 131 R 8.11 3.93 0.00 2.14 1.97 0.00 3.19 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 132 L 8.07 3.94 0.00 1.91 1.86 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 133 V 7.76 3.56 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 0.98 0.00 0.00 0.94 0.00 0.00 134 E 8.44 3.97 0.00 2.06 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 2.35 2.44 0.00 135 A 8.51 4.09 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 0.00 136 G 8.27 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 0.00 0.00 0.00 137 T 8.05 3.95 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 1.31 0.00 0.00 138 R 8.01 3.90 0.00 2.08 1.81 0.00 3.42 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.82 0.00 139 V 7.91 3.82 2.29 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 1.04 0.00 0.00 1.06 0.00 0.00 140 V 7.85 3.50 2.26 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 1.09 0.00 0.00 0.95 0.00 0.00 141 Q 8.09 4.15 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 142 Y 8.02 4.45 0.00 3.23 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 0.00 143 G 8.09 3.53 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 0.00 144 Y 7.77 4.46 0.00 3.02 2.93 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 0.00 145 A 8.17 4.20 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 0.00 146 G 8.71 3.70 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 0.00 0.00 0.00 147 A 8.48 3.45 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 *152 V 7.58 4.16 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 0.76 0.00 0.00 0.93 0.00 0.00 153 A 8.08 4.13 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 0.00 154 E 8.06 3.94 0.00 1.99 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 2.31 1.93 0.00 155 V 7.53 3.61 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 0.96 0.00 0.00 0.92 0.00 0.00 156 V 7.86 3.51 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 0.91 0.00 0.00 0.93 0.00 0.00 157 D 7.96 4.28 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 0.00 158 R 7.80 3.67 0.00 1.67 0.90 0.00 3.13 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.49 0.00 159 A 7.51 4.11 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 0.00 160 Q 7.95 4.04 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 161 A 8.18 3.96 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 0.00 162 E 8.11 3.94 0.00 2.49 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 2.49 2.50 0.00 163 I 7.56 3.71 1.92 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 1.46 0.80 0.93 0.00 0.00 164 Y 8.27 4.08 0.00 3.05 3.17 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 0.00 165 D 7.86 4.63 0.00 2.79 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 0.00 166 V 7.13 3.89 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 0.95 0.00 0.00 167 A 7.94 4.23 1.23 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 * Residues marked with a * may have inaccurate shift predictions.