NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 4.3623 8.0249 114.2901 60.6584 39.8727 176.0621 6 E 4.5478 7.8132 116.6731 53.5778 33.2383 174.9426 7 D 4.6337 9.0205 119.1357 55.2517 40.7641 177.5772 8 H 4.4143 8.1939 118.1730 58.7531 29.0689 177.3897 9 I 3.7905 7.6370 121.2443 64.5072 37.0754 178.4488 10 S 4.1612 8.1532 116.0543 61.5424 62.5967 176.5374 11 F 4.1614 8.3687 123.3502 61.2521 39.1133 176.9153 12 L 3.6901 8.0658 119.8980 58.1081 41.8406 178.8585 13 E 3.9574 7.9977 118.3557 58.9475 29.3030 179.1939 14 K 3.9019 7.8884 119.9040 59.3245 32.2137 178.6642 15 F 3.8812 8.0781 121.3384 61.2857 39.1609 177.2003 16 I 3.5908 7.9434 119.4518 64.3487 36.8486 178.0719 17 N 4.2445 8.1054 117.2827 56.5204 38.2987 177.2321 18 D 4.2306 8.1374 120.2741 57.1174 40.7850 178.8770 19 V 3.3380 7.5417 118.8821 66.1121 31.4093 177.7517 20 N 4.2604 8.1876 116.2253 56.6420 38.2982 177.5654 21 T 3.8110 8.0235 117.1074 66.3970 68.5208 176.3710 22 L 3.8925 8.0206 122.3855 58.5048 42.0302 179.0954 23 T 3.7872 8.1062 115.5173 66.6805 68.2069 176.2598 24 A 3.9855 7.9806 121.4221 55.2557 18.1319 179.6395 25 K 4.0855 8.1629 116.8494 59.6866 32.0235 179.7377 26 L 4.1823 8.5025 117.9060 56.5616 41.7669 178.4239 27 L 4.6078 7.9054 117.6376 54.5313 41.4936 177.6755 28 K 3.7333 7.7046 119.4446 60.1732 31.8538 177.9060 29 D 4.4400 8.0573 117.6903 57.5882 41.0615 178.6096 30 L 4.0988 8.0770 119.8730 58.7271 41.9939 178.9517 31 Q 4.2976 8.3198 117.0251 58.4921 28.5924 178.7023 32 T 4.0137 7.5763 116.5727 66.0817 68.5199 176.2249 33 E 3.9242 8.1804 120.6130 59.6387 29.5580 177.6773 34 Y 4.0506 8.2346 113.3034 57.9939 38.4869 175.4450 35 G 3.9439 7.9847 107.9575 46.8801 0.0000 173.6067 36 I 4.4389 8.0126 118.2213 58.1378 40.8203 175.6722 37 S 4.4081 8.3887 121.9490 58.0444 65.1689 175.1529 38 A 4.3108 8.4611 123.7687 54.6264 17.8625 179.7106 39 E 3.8866 8.0333 115.6175 59.8133 29.9799 178.8875 40 Q 4.0939 8.5804 120.2813 58.2772 29.0043 178.7219 41 S 4.0024 8.5998 114.3686 61.7461 62.1956 175.7640 42 H 4.1263 8.4174 120.8582 59.2926 29.6415 177.4524 43 V 3.5883 7.6231 120.1678 65.8296 31.2834 178.0650 44 L 3.9678 7.7956 118.3680 57.7830 41.3718 178.7136 45 N 4.2845 7.8252 115.4124 56.7434 39.0075 176.1579 46 M 4.1099 8.1713 119.8954 58.8125 31.9656 178.1403 47 L 4.3799 8.2981 119.6844 56.2994 41.5817 179.1729 48 S 4.2098 7.8927 112.9953 61.1445 62.3272 175.7025 49 I 3.9390 7.5201 122.3574 62.7480 37.4522 175.7125 50 E 4.7140 7.0289 113.9830 55.1896 32.2146 175.5563 51 A 4.3307 8.5590 122.2438 52.6265 19.5951 176.3926 52 L 4.3817 7.6775 113.9598 54.5685 46.3724 175.3896 53 T 4.4576 8.2573 119.2044 63.3020 69.7311 175.4749 54 V 3.8996 8.4087 121.0341 65.2570 31.9582 177.5840 55 G 3.7599 7.9590 105.2173 47.4779 0.0000 175.7952 56 Q 4.0842 7.9800 119.8990 58.9344 28.3041 178.5499 57 I 3.7721 7.5219 119.9757 64.6142 36.8161 178.5944 58 T 3.9237 7.5719 115.9457 66.3931 67.9800 176.0357 59 E 4.2069 7.9067 120.0866 57.7883 29.7380 177.0192 60 K 4.5501 7.2888 115.7328 56.0632 32.2178 176.7347 61 Q 4.3822 7.6184 119.2632 54.2552 30.8503 176.1103 62 G 4.1700 8.0873 109.7834 46.9153 0.0000 174.6734 63 V 3.7605 7.5306 111.0528 60.0194 32.3144 175.4640 64 N 4.0515 8.6396 116.7917 54.2958 39.7009 174.7383 65 K 3.8433 8.8353 127.8313 59.7409 32.4835 178.5797 66 A 3.9532 8.0276 120.1749 55.0848 18.3925 179.3218 67 A 3.9214 7.7955 118.7128 55.4180 18.5942 179.9489 68 V 3.5936 7.7942 116.8117 66.1664 31.5757 178.4684 69 S 4.1376 8.4032 115.3648 61.3674 62.6391 176.6129 70 R 3.8871 7.8884 121.0682 59.5326 29.9053 178.8093 71 R 3.9810 7.8499 117.4165 59.1352 30.0599 179.3177 72 V 3.5531 7.9610 118.0509 66.0232 31.6667 178.2187 73 K 3.9788 8.5092 118.6183 59.5203 31.4515 179.4914 74 K 4.0365 8.5690 119.1220 59.2452 31.9282 179.0668 75 L 4.2169 7.8621 118.3541 56.6210 41.6211 179.1373 76 L 4.0971 7.6156 119.1895 57.3966 41.5710 178.5108 77 N 4.3889 8.0966 115.4281 55.5538 38.9818 175.7256 78 A 4.4331 7.3448 118.6148 50.9455 19.6233 176.4501 79 E 3.8211 7.8807 115.5373 57.4553 27.7751 175.2789 80 L 4.5465 8.2266 118.8930 55.4195 43.0105 176.7192 81 V 5.1143 7.5614 117.5209 61.1140 35.1768 173.6689 82 K 4.7721 9.6230 124.4717 55.5414 36.7304 174.4845 83 L 4.7613 8.2496 119.3997 54.5796 43.0066 178.5027 84 E 3.4851 9.1200 119.7815 55.8059 32.3968 176.0675 *95 K 4.0280 8.3704 120.4478 56.2675 33.2342 175.0705 96 I 4.5177 8.1001 123.7562 59.7564 40.3651 174.4235 97 I 4.9454 8.6690 124.8540 59.5907 39.3416 175.2259 98 K 4.9886 8.8962 125.8422 54.4548 36.3876 175.7335 99 L 4.4936 8.4931 121.0342 55.0177 42.5085 177.3462 100 S 4.5573 8.6035 117.8489 57.2932 64.8504 174.6637 101 N 4.3230 8.7983 117.1663 56.4130 38.3353 176.3214 102 K 4.2268 8.1166 120.9442 59.0734 32.5234 178.8380 103 G 3.6647 8.0299 105.8343 47.4818 0.0000 175.9932 104 K 4.0652 8.3217 120.9186 59.3247 32.1563 179.6158 105 K 4.0656 8.0017 118.9337 59.3757 31.9351 178.7728 106 Y 3.7153 7.8357 119.9142 60.8050 38.6224 178.4180 107 I 3.5602 7.7427 120.2359 63.8401 37.0791 178.7373 108 K 3.9262 7.7325 119.3444 59.4672 32.0325 179.2263 109 E 3.9963 7.9297 118.6646 59.1346 29.2814 179.4876 110 R 3.6443 7.5766 118.7972 59.3276 30.0736 178.7803 111 K 3.9226 8.1971 118.3584 59.1175 31.9300 178.9218 112 A 3.9614 8.3371 121.5418 55.4726 18.4050 179.6117 113 I 3.6206 7.5070 117.2012 64.9247 37.2743 178.4953 114 M 4.0506 7.9982 119.2781 58.8380 31.8210 179.2207 115 S 4.1803 8.4385 115.3685 61.4934 62.6502 176.0185 116 H 4.1824 8.0750 121.0519 59.4724 29.6769 177.4427 117 I 3.7552 7.7770 114.1590 63.6744 37.5472 177.8511 118 A 4.0135 8.1552 122.8705 55.1160 18.0675 179.6865 119 S 4.3420 7.9249 110.7308 60.8081 63.1807 176.2593 120 D 4.4741 7.6064 121.9684 57.7887 40.5308 178.3226 121 M 4.3636 8.0913 117.0113 57.1713 32.1038 177.0912 122 T 5.0015 7.4939 106.9814 60.9850 69.7430 175.7956 123 S 4.1881 7.9411 118.5051 61.3444 62.8097 174.8231 124 D 4.6858 8.0010 117.9603 52.8559 39.5182 175.5860 125 F 4.7708 8.1357 119.5609 56.2989 40.3938 174.9298 126 D 4.6773 10.4022 126.6866 53.6636 42.1082 177.1603 127 S 4.1126 8.9187 122.3069 61.8647 62.5465 176.9840 128 K 4.3339 8.3137 122.7450 57.5226 31.6647 179.1150 129 E 4.1010 8.9412 120.6012 59.2691 29.6143 178.9576 130 I 3.6082 7.6093 119.3423 64.1079 36.9913 178.1517 131 E 3.9099 8.3422 119.6343 59.4590 29.2180 179.4404 132 K 4.0414 7.6880 118.3687 59.3172 32.3126 179.0839 133 V 3.5590 7.6069 118.4334 65.8643 31.3924 178.0785 134 R 3.9306 8.3617 118.9076 59.1729 29.8263 178.6208 135 Q 3.9302 8.1532 118.1514 58.9812 28.8861 178.7619 136 V 3.5988 7.4650 119.2201 66.0624 31.4574 178.0795 137 L 4.0714 7.9141 118.4188 57.6020 41.3973 179.2111 138 E 3.9690 8.4629 118.9228 59.3952 29.3649 179.4250 139 I 3.7291 7.7604 119.7881 64.5939 37.1369 178.6310 140 I 3.8068 7.7370 120.3396 64.3314 36.8701 178.0303 141 D 4.3356 8.7760 119.5172 57.2425 41.0431 177.5883 142 Y 4.0538 8.5170 120.5372 60.9044 38.8600 178.4399 143 R 3.7987 8.3133 118.8569 59.1733 30.1009 178.8452 144 I 3.8119 8.0123 119.8392 64.8735 37.0895 178.4238 145 Q 3.9768 8.1706 118.4624 59.0170 28.2731 179.0913 146 S 3.9354 7.5413 115.1392 61.6067 63.1358 175.9438 147 Y 4.3010 8.4643 119.6497 61.6944 37.4765 178.7319 148 T 3.9078 8.1163 115.5133 66.9959 68.6244 176.1039 149 S 4.2236 8.0242 114.1472 62.9549 62.9257 175.8438 150 K 4.3213 7.8364 120.1702 55.6116 34.3701 176.8349 151 L 4.1026 8.7322 122.2939 56.6854 41.9020 177.9437 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 5 I 8.02 4.36 1.91 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 1.44 1.16 0.95 0.00 0.00 6 E 7.81 4.55 0.00 2.09 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 2.31 2.38 0.00 7 D 9.02 4.63 0.00 2.96 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 8 H 8.19 4.41 0.00 3.24 3.42 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 9 I 7.64 3.79 2.09 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 1.67 1.43 0.99 0.00 0.00 10 S 8.15 4.16 0.00 4.08 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 11 F 8.37 4.16 0.00 3.26 3.32 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 12 L 8.07 3.69 0.00 1.96 1.79 0.87 0.79 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 13 E 8.00 3.96 0.00 2.23 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 2.31 2.30 0.00 14 K 7.89 3.90 0.00 1.83 1.88 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.44 7.81 15 F 8.08 3.88 0.00 2.37 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 16 I 7.94 3.59 1.89 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 1.61 0.81 0.93 0.00 0.00 17 N 8.11 4.24 0.00 2.88 2.82 0.00 0.00 7.07 7.36 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 18 D 8.14 4.23 0.00 2.60 2.59 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 19 V 7.54 3.34 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 1.00 0.00 0.00 0.21 0.00 0.00 20 N 8.19 4.26 0.00 2.91 2.81 0.00 0.00 7.11 7.68 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 21 T 8.02 3.81 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 1.19 0.00 0.00 22 L 8.02 3.89 0.00 1.74 1.79 0.90 1.08 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 23 T 8.11 3.79 4.36 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 1.20 0.00 0.00 24 A 7.98 3.99 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 25 K 8.16 4.09 0.00 1.97 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.63 7.81 26 L 8.50 4.18 0.00 1.55 1.72 0.90 1.12 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 27 L 7.91 4.61 0.00 1.75 1.68 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.70 3.73 0.00 2.08 1.78 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.53 7.81 29 D 8.06 4.44 0.00 2.76 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 30 L 8.08 4.10 0.00 1.79 1.90 1.08 0.26 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 31 Q 8.32 4.30 0.00 2.23 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.57 2.71 0.00 32 T 7.58 4.01 4.46 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 1.23 0.00 0.00 33 E 8.18 3.92 0.00 1.98 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 2.12 2.20 0.00 34 Y 8.23 4.05 0.00 2.95 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 35 G 7.98 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 0.00 0.00 0.00 36 I 8.01 4.44 1.76 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.90 0.83 0.00 0.00 37 S 8.39 4.41 0.00 4.08 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 38 A 8.46 4.31 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 39 E 8.03 3.89 0.00 2.12 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 2.27 2.39 0.00 40 Q 8.58 4.09 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 41 S 8.60 4.00 0.00 3.89 4.07 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 42 H 8.42 4.13 0.00 3.48 3.50 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 43 V 7.62 3.59 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 0.89 0.00 0.00 0.99 0.00 0.00 44 L 7.80 3.97 0.00 1.95 1.75 0.68 0.58 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 45 N 7.83 4.28 0.00 2.87 2.94 0.00 0.00 7.23 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 M 8.17 4.11 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.58 0.00 47 L 8.30 4.38 0.00 1.81 1.69 0.92 0.67 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 48 S 7.89 4.21 0.00 3.90 4.09 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 49 I 7.52 3.94 2.03 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 1.57 0.64 0.91 0.00 0.00 50 E 7.03 4.71 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 2.05 2.13 0.00 51 A 8.56 4.33 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 52 L 7.68 4.38 0.00 1.50 1.50 0.98 0.94 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 53 T 8.26 4.46 4.33 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 1.22 0.00 0.00 54 V 8.41 3.90 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 0.85 0.00 0.00 0.93 0.00 0.00 55 G 7.96 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 0.00 0.00 0.00 56 Q 7.98 4.08 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.84 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 57 I 7.52 3.77 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 1.52 1.26 0.91 0.00 0.00 58 T 7.57 3.92 4.45 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 1.21 0.00 0.00 59 E 7.91 4.21 0.00 1.98 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 2.30 2.38 0.00 60 K 7.29 4.55 0.00 1.82 1.80 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.35 7.81 61 Q 7.62 4.38 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.10 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 62 G 8.09 4.17 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 0.00 63 V 7.53 3.76 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 0.69 0.00 0.00 0.97 0.00 0.00 64 N 8.64 4.05 0.00 2.77 2.74 0.00 0.00 6.52 6.10 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 65 K 8.84 3.84 0.00 1.82 1.79 0.00 1.79 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.46 7.81 66 A 8.03 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 67 A 7.80 3.92 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 68 V 7.79 3.59 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 1.03 0.00 0.00 0.99 0.00 0.00 69 S 8.40 4.14 0.00 3.89 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 70 R 7.89 3.89 0.00 2.00 2.07 0.00 3.25 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 71 R 7.85 3.98 0.00 2.08 1.96 0.00 3.18 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 72 V 7.96 3.55 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 1.03 0.00 0.00 0.96 0.00 0.00 73 K 8.51 3.98 0.00 2.03 1.85 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.62 7.81 74 K 8.57 4.04 0.00 1.93 1.84 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.72 7.81 75 L 7.86 4.22 0.00 1.86 1.68 0.97 0.54 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 76 L 7.62 4.10 0.00 1.92 1.70 0.92 0.63 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 77 N 8.10 4.39 0.00 2.74 2.99 0.00 0.00 7.13 7.90 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 78 A 7.34 4.43 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 79 E 7.88 3.82 0.00 2.15 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 2.25 2.26 0.00 80 L 8.23 4.55 0.00 1.68 1.66 0.84 0.68 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 81 V 7.56 5.11 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 0.83 0.00 0.00 0.98 0.00 0.00 82 K 9.62 4.77 0.00 1.75 1.86 0.00 1.35 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.40 7.81 83 L 8.25 4.76 0.00 1.55 1.62 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 84 E 9.12 3.49 0.00 2.03 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 2.27 2.29 0.00 *95 K 8.37 4.03 0.00 1.81 1.79 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.47 7.81 96 I 8.10 4.52 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 1.35 0.99 0.98 0.00 0.00 97 I 8.67 4.95 1.95 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 1.28 1.25 0.91 0.00 0.00 98 K 8.90 4.99 0.00 1.77 1.86 0.00 1.32 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.39 7.81 99 L 8.49 4.49 0.00 1.57 1.66 0.94 0.89 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 0.00 100 S 8.60 4.56 0.00 3.93 4.02 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 0.00 101 N 8.80 4.32 0.00 2.80 2.89 0.00 0.00 6.53 6.11 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 0.00 102 K 8.12 4.23 0.00 1.92 1.85 0.00 1.87 0.00 0.00 1.89 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.71 1.59 7.81 103 G 8.03 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 0.00 104 K 8.32 4.07 0.00 2.10 1.89 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.50 7.81 105 K 8.00 4.07 0.00 1.89 1.97 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.64 7.81 106 Y 7.84 3.72 0.00 2.40 2.99 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 0.00 107 I 7.74 3.56 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.83 0.87 0.00 0.00 108 K 7.73 3.93 0.00 1.97 1.82 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.71 7.81 109 E 7.93 4.00 0.00 1.97 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 0.00 2.33 2.53 0.00 110 R 7.58 3.64 0.00 1.37 1.79 0.00 3.00 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 111 K 8.20 3.92 0.00 1.95 1.81 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.56 7.81 112 A 8.34 3.96 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 0.00 113 I 7.51 3.62 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.04 0.90 0.00 0.00 114 M 8.00 4.05 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.87 0.00 115 S 8.44 4.18 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 0.00 116 H 8.07 4.18 0.00 3.32 3.49 0.00 5.60 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 7.78 3.76 1.84 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 1.44 0.71 0.86 0.00 0.00 118 A 8.16 4.01 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.92 4.34 0.00 4.09 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 0.00 120 D 7.61 4.47 0.00 2.96 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 0.00 121 M 8.09 4.36 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.58 0.00 122 T 7.49 5.00 4.41 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 1.29 0.00 0.00 123 S 7.94 4.19 0.00 4.01 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 0.00 124 D 8.00 4.69 0.00 2.66 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 0.00 125 F 8.14 4.77 0.00 3.35 2.98 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 0.00 126 D 10.40 4.68 0.00 2.64 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 0.00 127 S 8.92 4.11 0.00 4.10 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 0.00 128 K 8.31 4.33 0.00 1.87 1.91 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.66 1.35 7.81 129 E 8.94 4.10 0.00 2.13 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 2.42 2.54 0.00 130 I 7.61 3.61 1.98 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.78 0.85 0.00 0.00 131 E 8.34 3.91 0.00 2.00 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 2.42 0.00 132 K 7.69 4.04 0.00 1.85 1.79 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.43 7.81 133 V 7.61 3.56 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 0.85 0.00 0.00 0.91 0.00 0.00 134 R 8.36 3.93 0.00 1.87 2.08 0.00 3.14 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.66 0.00 135 Q 8.15 3.93 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 136 V 7.47 3.60 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 1.02 0.00 0.00 0.91 0.00 0.00 137 L 7.91 4.07 0.00 1.76 1.70 0.88 0.71 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 0.00 138 E 8.46 3.97 0.00 2.18 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 2.64 0.00 139 I 7.76 3.73 2.02 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.82 0.93 0.00 0.00 140 I 7.74 3.81 2.03 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 1.44 0.65 0.95 0.00 0.00 141 D 8.78 4.34 0.00 2.87 2.85 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 0.00 142 Y 8.52 4.05 0.00 3.16 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 0.00 143 R 8.31 3.80 0.00 1.97 1.95 0.00 3.26 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.12 0.00 144 I 8.01 3.81 2.13 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 1.58 0.96 0.94 0.00 0.00 145 Q 8.17 3.98 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 146 S 7.54 3.94 0.00 3.69 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 0.00 147 Y 8.46 4.30 0.00 3.20 2.87 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 0.00 148 T 8.12 3.91 4.42 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 1.21 0.00 0.00 149 S 8.02 4.22 0.00 3.81 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 0.00 150 K 7.84 4.32 0.00 2.03 1.82 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.47 1.43 7.81 151 L 8.73 4.10 0.00 1.62 1.60 0.93 0.79 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 * Residues marked with a * may have inaccurate shift predictions.