NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4081 8.3231 115.4124 57.5245 64.5189 173.7923 3 G 3.4171 8.2898 108.6796 44.3302 0.0000 173.6898 4 F 4.4771 8.6989 123.8355 60.6783 39.2745 176.3645 5 L 3.8879 7.8423 119.0079 58.2262 42.1001 178.4389 6 E 3.9762 8.1726 118.0473 59.6044 29.3546 178.9037 7 Q 4.0274 8.3505 119.5443 59.4137 28.9935 178.7491 8 R 3.9485 7.7334 118.9705 59.1811 30.0020 178.8640 9 L 4.1349 7.8602 120.4319 57.9658 42.0601 178.9698 10 G 3.7431 8.5228 106.2450 48.1979 0.0000 175.0513 11 H 4.2657 8.5726 120.8850 59.0632 29.7176 176.4485 12 C 4.0469 8.0710 119.3005 62.9558 31.3904 175.4656 13 L 4.2062 7.9544 118.6826 57.8912 41.5136 179.4172 14 R 4.1695 8.4363 118.3963 59.2236 29.9780 179.1893 15 Q 4.0738 8.1623 115.2757 57.3072 28.9016 177.6022 *17 A 4.2801 7.8975 123.0095 51.8734 20.5512 179.3725 18 E 3.9537 8.3669 115.5177 59.1895 29.7390 178.0422 19 K 4.0355 8.1001 118.4556 57.2128 32.4481 177.6108 20 G 3.8137 7.8401 105.5086 45.8001 0.0000 173.0816 21 L 4.2000 7.7703 121.4785 54.1604 41.9371 176.6218 22 E 4.1455 8.7952 126.5758 58.7113 30.1545 176.4613 23 A 5.0068 7.4426 118.7863 50.5585 23.0677 175.0040 24 L 4.8993 8.7184 122.2807 53.3618 45.5801 174.6988 25 L 4.9688 9.1834 129.5077 53.8435 43.3763 175.5942 26 V 4.6459 9.3113 126.9529 61.5616 33.3142 175.8149 27 T 4.3264 8.9655 116.9232 62.0579 70.9952 174.7313 28 H 4.3719 8.8720 120.9144 54.7464 30.2648 175.5400 29 L 3.9172 8.7271 127.5235 58.9307 41.7522 179.5271 30 T 4.0641 7.9040 108.8058 64.7168 68.7305 176.3699 31 N 4.4317 8.1600 119.1893 56.2392 38.7692 177.4292 32 S 4.1977 8.4766 116.0321 61.4382 63.0482 175.8311 33 Y 4.2221 8.2981 123.2386 60.6832 38.3446 177.1156 34 Y 3.9473 8.0828 119.4245 60.8190 38.8693 177.7951 35 L 4.3204 7.6813 117.9988 56.0503 42.2915 178.0863 36 T 4.2208 7.7127 107.8479 60.3727 70.2954 175.5129 37 G 3.5773 7.8519 108.5139 45.3882 0.0000 172.5266 38 F 4.9191 8.0130 121.5707 56.7935 40.6399 175.9212 39 S 3.8806 8.5262 124.5807 62.2121 61.9201 174.7447 40 G 2.6109 5.3800 107.0958 42.8805 0.0000 175.2559 41 T 3.6927 8.1681 114.5860 63.2374 69.0774 173.8451 42 A 4.5252 6.9637 124.7973 50.4434 19.6034 175.8378 43 A 4.7867 8.3207 123.8783 51.9761 22.2822 175.2062 44 T 4.5060 9.1557 120.6970 61.9747 71.0417 173.6797 45 V 4.7942 8.8570 127.5299 61.0133 34.0371 173.9712 46 L 5.1849 8.8020 129.6962 53.3568 44.7190 174.7729 47 I 5.0595 8.8029 127.2132 59.7745 39.8380 174.8862 48 T 5.0455 9.0490 116.1049 58.2141 71.9805 174.5547 49 A 3.7548 8.8288 123.5652 54.7210 18.2928 178.5553 50 K 4.4035 7.4952 113.0354 56.6243 33.9607 176.8940 51 R 4.5940 8.5728 117.2767 54.1856 33.0633 174.9324 52 R 4.7854 8.1772 118.9399 54.6072 33.7401 174.0456 53 V 4.9516 9.0512 124.4999 60.7810 34.9913 173.9509 54 L 4.9913 9.4024 129.7526 53.5291 44.4673 174.7388 55 I 4.8910 8.7156 128.3285 60.1017 39.4340 175.0789 56 T 5.0800 8.7503 120.6929 60.7456 71.9260 172.1365 57 D 4.8768 8.6415 123.6025 51.9913 41.9078 177.0422 58 S 4.0940 8.8671 112.1617 61.8960 62.2777 176.6072 59 R 3.8683 7.6521 117.1702 58.8242 29.8946 176.9847 60 Y 4.9879 7.7568 112.2638 57.3727 40.1008 177.4926 61 T 3.8564 7.8792 116.6247 66.7054 68.5523 175.8446 62 L 3.9658 7.9982 120.0716 57.9221 41.2357 179.0007 63 L 4.0037 8.1500 119.1111 58.3457 42.0060 178.4442 64 A 3.6108 8.2039 120.4901 55.3985 18.0410 179.8515 65 K 4.0945 8.1181 115.1275 58.9775 32.1168 178.4419 66 A 4.5968 7.8501 118.8637 52.0225 18.8836 177.4644 67 S 4.3975 7.4962 111.0640 59.4682 66.8138 174.5110 68 V 4.0056 8.2823 121.6732 61.4687 30.7518 174.8431 69 E 4.4482 8.6719 127.3389 56.3249 30.8508 177.2216 70 G 4.2653 8.8980 109.1731 45.8943 0.0000 173.0491 71 F 4.8422 7.6106 116.8411 55.1621 42.4092 174.7698 72 D 4.5870 9.2328 123.8555 54.4354 41.8834 175.2703 73 I 4.8533 8.3263 123.8652 59.9770 39.2129 175.1875 74 I 4.5466 8.6605 126.9881 59.3707 40.6987 174.1338 75 E 4.7823 8.9032 128.9365 56.0493 30.1567 175.5864 76 S 4.6603 8.7061 119.3959 57.5368 65.8892 174.8473 77 R 4.5864 8.7620 121.7675 56.1670 30.0182 177.0367 78 T 4.6601 8.0397 109.4472 58.8140 68.5015 172.6395 79 P 4.3264 0.0000 0.0000 66.5295 31.8380 178.6040 80 L 3.9982 7.8722 118.3419 57.2858 41.4725 179.2749 81 K 3.9839 7.8773 118.8475 59.1236 31.9086 179.5201 82 V 3.7118 7.6852 118.1725 65.9034 31.4930 177.8806 83 V 3.5499 7.9320 117.8186 66.1024 31.3535 177.7075 84 A 3.9456 8.0245 120.2336 55.3491 18.1159 179.4310 85 E 3.9279 8.3639 117.0608 59.5345 29.5336 179.6759 86 L 3.9814 8.1385 119.0958 57.8426 41.6210 179.6041 87 L 4.0365 8.1627 119.0928 57.4749 41.5804 179.3094 88 E 3.8612 8.2904 119.2267 59.2605 29.4548 178.5509 89 A 4.0313 8.0160 119.6825 54.8712 18.4978 178.3654 90 D 4.6136 7.9772 113.9824 53.1355 41.5797 176.3715 91 Q 3.4497 7.6450 117.2282 56.8811 26.9594 173.6308 92 I 4.3423 7.8863 117.6732 60.3577 38.6743 175.8939 93 D 4.9157 8.2266 123.4631 54.3903 42.6331 175.7297 94 C 5.4262 8.0235 115.3498 57.7176 32.0044 173.3036 95 L 4.7867 9.0523 124.1329 53.3104 45.1024 175.7188 96 G 4.2429 9.2701 114.9716 46.2633 0.0000 172.2465 97 F 5.5830 8.4739 116.8244 55.3574 42.5029 172.7696 98 E 4.7268 8.9939 118.7161 55.4074 30.1827 177.8721 99 D 4.4224 9.0811 124.1312 55.5911 39.6716 177.6868 100 Q 4.3892 7.9445 117.3998 56.5336 29.1619 176.5205 101 V 3.9165 7.6906 112.3420 61.0404 32.4137 176.8141 102 S 4.5331 8.4454 117.1258 58.1173 65.0744 175.1226 103 F 4.1223 8.9064 125.0853 61.5094 39.2429 177.3261 104 S 4.6059 8.3555 114.8235 61.0230 62.2641 176.3328 105 F 4.0229 7.8009 123.1876 60.9050 39.2095 176.0295 106 Y 3.8751 7.9086 118.3146 60.8996 38.6473 178.0545 107 Q 3.7806 7.9486 118.7796 58.5042 28.8281 179.3991 108 A 4.0477 7.4972 119.4975 52.6021 17.8394 179.2031 *110 Q 3.8759 8.1520 121.7742 57.3222 30.8545 177.7661 111 A 3.7886 7.8957 120.0449 54.8161 18.4112 178.2093 112 E 4.2690 7.6553 112.7208 56.9961 30.7751 176.7325 113 L 4.6799 6.8956 120.0896 53.6615 41.8667 176.7286 114 S 4.3067 7.6288 112.6702 59.5154 63.8993 174.9814 115 G 3.9772 8.8134 110.6037 45.3644 0.0000 173.2121 116 I 4.4869 7.1938 120.3606 60.0735 38.8582 175.7602 117 T 4.2500 8.9566 124.3844 63.2001 69.3201 173.7254 118 L 4.9647 8.6031 127.1636 53.8601 43.5092 176.6405 119 L 4.7661 9.3109 123.6253 52.4294 43.9515 175.5721 120 A 2.9796 8.4913 125.8105 51.6010 19.1219 176.3289 121 Q 4.7242 8.7680 121.1271 53.9136 32.2253 174.7750 122 S 4.9575 8.1914 117.7297 56.0299 64.9188 173.9114 123 G 4.2646 8.8034 113.9752 46.9187 0.0000 175.0641 124 F 3.8098 8.5612 121.0086 61.3408 39.7046 176.0343 125 V 3.8270 7.8934 117.0577 65.7095 31.6251 177.4088 126 E 3.7712 8.1192 118.0658 59.7273 29.0876 178.1458 127 H 4.6558 7.7500 112.5155 56.3964 29.0087 176.3557 128 L 4.0842 7.5589 122.0892 56.6554 42.0021 177.1735 129 R 4.2625 7.2266 117.9229 56.1919 29.5956 176.0124 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 2 S 8.32 4.41 0.00 4.00 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 G 8.29 3.42 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 0.00 4 F 8.70 4.48 0.00 2.99 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 5 L 7.84 3.89 0.00 1.73 1.64 0.75 0.99 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 6 E 8.17 3.98 0.00 2.05 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 2.42 2.38 0.00 7 Q 8.35 4.03 0.00 2.50 2.16 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 2.40 2.46 0.00 8 R 7.73 3.95 0.00 1.85 1.63 0.00 2.47 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.69 0.00 9 L 7.86 4.13 0.00 1.81 1.86 0.97 0.88 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 10 G 8.52 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 11 H 8.57 4.27 0.00 3.32 3.54 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 C 8.07 4.05 0.00 3.18 3.26 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 13 L 7.95 4.21 0.00 1.85 1.75 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.44 4.17 0.00 2.06 2.04 0.00 3.17 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.90 0.00 15 Q 8.16 4.07 0.00 2.29 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.39 0.00 0.00 0.00 0.00 0.00 1.76 2.28 0.00 *17 A 7.90 4.28 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 18 E 8.37 3.95 0.00 2.03 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 0.00 2.34 2.32 0.00 19 K 8.10 4.04 0.00 2.12 1.92 0.00 2.01 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.68 7.81 20 G 7.84 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 21 L 7.77 4.20 0.00 1.62 1.60 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.80 4.15 0.00 2.07 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 2.40 2.31 0.00 23 A 7.44 5.01 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 24 L 8.72 4.90 0.00 1.49 1.38 0.59 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 25 L 9.18 4.97 0.00 1.72 1.81 1.04 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 26 V 9.31 4.65 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 1.17 0.00 0.00 1.00 0.00 0.00 27 T 8.97 4.33 3.82 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 1.04 0.00 0.00 28 H 8.87 4.37 0.00 3.23 3.26 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.73 3.92 0.00 1.67 1.66 0.91 0.66 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 30 T 7.90 4.06 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 1.21 0.00 0.00 31 N 8.16 4.43 0.00 2.98 2.98 0.00 0.00 6.92 7.58 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 32 S 8.48 4.20 0.00 4.05 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 33 Y 8.30 4.22 0.00 3.11 3.30 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 34 Y 8.08 3.95 0.00 3.16 3.27 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 35 L 7.68 4.32 0.00 1.67 1.87 1.10 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.71 4.22 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 0.35 0.00 0.00 37 G 7.85 3.58 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 0.00 0.00 0.00 38 F 8.01 4.92 0.00 2.85 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 39 S 8.53 3.88 0.00 3.50 3.58 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 40 G 5.38 2.61 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 41 T 8.17 3.69 4.22 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 1.18 0.00 0.00 42 A 6.96 4.53 1.44 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 0.00 0.00 43 A 8.32 4.79 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 44 T 9.16 4.51 4.29 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 1.31 0.00 0.00 45 V 8.86 4.79 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 1.12 0.00 0.00 0.83 0.00 0.00 46 L 8.80 5.18 0.00 1.84 1.53 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.80 5.06 1.91 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.91 0.93 0.00 0.00 48 T 9.05 5.05 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 1.21 0.00 0.00 49 A 8.83 3.75 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 50 K 7.50 4.40 0.00 1.59 1.83 0.00 1.52 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.40 7.81 51 R 8.57 4.59 0.00 1.76 1.76 0.00 3.06 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.70 0.00 52 R 8.18 4.79 0.00 1.18 0.66 0.00 2.51 0.00 0.00 3.04 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.37 0.00 53 V 9.05 4.95 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 0.99 0.00 0.00 0.95 0.00 0.00 54 L 9.40 4.99 0.00 1.48 1.42 0.64 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.72 4.89 1.98 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 1.14 0.67 1.00 0.00 0.00 56 T 8.75 5.08 4.20 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 0.00 0.00 0.00 1.24 0.00 0.00 57 D 8.64 4.88 0.00 2.89 2.89 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 58 S 8.87 4.09 0.00 3.88 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 59 R 7.65 3.87 0.00 1.51 1.09 0.00 2.89 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 60 Y 7.76 4.99 0.00 3.07 3.19 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 0.00 0.00 0.00 0.00 61 T 7.88 3.86 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 1.22 0.00 0.00 62 L 8.00 3.97 0.00 1.72 1.76 0.93 0.50 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 63 L 8.15 4.00 0.00 1.93 2.15 1.06 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.20 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.12 4.09 0.00 1.90 1.89 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.58 7.81 66 A 7.85 4.60 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 67 S 7.50 4.40 0.00 3.84 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 68 V 8.28 4.01 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 0.79 0.00 0.00 69 E 8.67 4.45 0.00 2.10 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 2.37 2.32 0.00 70 G 8.90 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 0.00 0.00 0.00 0.00 71 F 7.61 4.84 0.00 2.73 2.96 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 72 D 9.23 4.59 0.00 2.60 2.60 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 0.00 0.00 0.00 0.00 73 I 8.33 4.85 1.85 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 1.34 0.74 0.84 0.00 0.00 74 I 8.66 4.55 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 1.12 1.05 0.92 0.00 0.00 75 E 8.90 4.78 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 2.30 2.33 0.00 76 S 8.71 4.66 0.00 3.89 3.67 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 77 R 8.76 4.59 0.00 1.96 2.01 0.00 3.04 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 78 T 8.04 4.66 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 1.20 0.00 0.00 79 P 0.00 4.33 0.00 2.35 2.40 0.00 3.73 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 2.16 2.13 0.00 80 L 7.87 4.00 0.00 1.59 1.60 0.30 0.82 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 81 K 7.88 3.98 0.00 1.89 1.83 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.47 7.81 82 V 7.69 3.71 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 1.12 0.00 0.00 0.94 0.00 0.00 83 V 7.93 3.55 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 1.02 0.00 0.00 1.04 0.00 0.00 84 A 8.02 3.95 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 85 E 8.36 3.93 0.00 2.18 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 2.32 2.64 0.00 86 L 8.14 3.98 0.00 1.85 1.71 0.99 0.49 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 87 L 8.16 4.04 0.00 1.67 1.88 0.91 0.78 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 88 E 8.29 3.86 0.00 2.03 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 0.00 2.29 2.31 0.00 89 A 8.02 4.03 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 90 D 7.98 4.61 0.00 2.78 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 91 Q 7.65 3.45 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 92 I 7.89 4.34 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 1.30 0.70 1.00 0.00 0.00 93 D 8.23 4.92 0.00 2.52 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 94 C 8.02 5.43 0.00 2.81 2.81 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 95 L 9.05 4.79 0.00 1.71 1.50 0.98 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 96 G 9.27 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 0.00 0.00 0.00 0.00 97 F 8.47 5.58 0.00 3.30 3.19 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 0.00 0.00 0.00 0.00 98 E 8.99 4.73 0.00 2.08 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 2.42 2.39 0.00 99 D 9.08 4.42 0.00 2.83 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 0.00 100 Q 7.94 4.39 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.05 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 101 V 7.69 3.92 2.30 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 0.81 0.00 0.00 1.40 0.00 0.00 102 S 8.45 4.53 0.00 4.17 4.08 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 0.00 0.00 0.00 103 F 8.91 4.12 0.00 3.27 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 0.00 104 S 8.36 4.61 0.00 4.14 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 0.00 105 F 7.80 4.02 0.00 2.98 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 0.00 106 Y 7.91 3.88 0.00 2.84 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 0.00 107 Q 7.95 3.78 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.25 2.00 0.00 108 A 7.50 4.05 1.05 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 *110 Q 8.15 3.88 0.00 1.81 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.85 0.00 0.00 0.00 0.00 0.00 1.70 1.48 0.00 111 A 7.90 3.79 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 0.00 112 E 7.66 4.27 0.00 1.85 1.92 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 2.32 2.28 0.00 113 L 6.90 4.68 0.00 1.34 1.52 0.77 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.63 4.31 0.00 3.93 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 0.00 115 G 8.81 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 0.00 116 I 7.19 4.49 1.92 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 1.19 0.87 0.94 0.00 0.00 117 T 8.96 4.25 4.38 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 1.26 0.00 0.00 118 L 8.60 4.96 0.00 1.76 1.84 0.51 0.90 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 0.00 119 L 9.31 4.77 0.00 1.56 1.59 0.95 0.95 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 0.00 120 A 8.49 2.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 Q 8.77 4.72 0.00 1.92 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.19 0.00 122 S 8.19 4.96 0.00 3.84 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 0.00 123 G 8.80 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 0.00 0.00 0.00 0.00 124 F 8.56 3.81 0.00 3.03 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 0.00 125 V 7.89 3.83 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 1.06 0.00 0.00 1.12 0.00 0.00 126 E 8.12 3.77 0.00 1.95 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 2.30 2.36 0.00 127 H 7.75 4.66 0.00 2.96 3.18 0.00 5.67 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.56 4.08 0.00 1.70 1.83 1.13 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 129 R 7.23 4.26 0.00 2.00 1.60 0.00 3.00 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.46 0.00 * Residues marked with a * may have inaccurate shift predictions.