NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3168 8.2649 123.6057 51.6983 19.6190 176.2518 2 K 4.1531 8.0148 118.4399 55.5968 33.4202 174.7702 3 E 4.0639 9.4274 117.4339 57.3620 27.6286 175.5084 4 S 4.6491 7.7996 109.2752 58.8293 65.8559 173.9428 5 T 4.8837 7.9812 113.1399 62.8119 71.2478 173.4152 6 G 5.0025 8.0521 114.6943 46.8522 0.0000 173.0431 7 F 4.4026 8.0422 120.6071 57.7970 40.5634 174.2289 8 K 4.1070 7.0936 125.3317 53.5128 35.8455 174.3303 9 P 4.2461 0.0000 0.0000 63.2125 32.3116 175.9757 10 G 3.8796 7.6597 106.6494 45.8744 0.0000 172.6583 11 S 4.3223 9.1323 117.0253 57.6890 62.8782 176.0069 12 A 4.2937 8.5954 130.7027 54.4105 19.0199 178.5885 13 K 4.1456 8.1000 115.5440 59.1686 32.3108 179.2344 14 K 3.9427 8.2174 120.2356 59.1536 32.5494 178.7666 15 G 4.2372 8.2734 106.6357 46.8570 0.0000 175.6475 16 A 2.5800 7.5977 122.6002 54.4574 18.1182 179.3005 17 T 4.0350 7.6091 107.1865 63.6725 69.5060 176.8452 18 L 3.9344 7.4559 122.7007 57.7456 41.9688 178.6464 19 F 4.0389 8.0959 120.7137 60.8735 39.1758 177.1324 20 K 3.9483 7.5540 118.0809 59.7117 32.0577 178.3193 21 T 4.2055 8.0264 108.7420 63.2482 69.2381 176.0718 22 R 4.5944 7.5802 116.7711 55.9010 31.4722 175.7894 23 C 4.1738 8.1354 115.7253 60.9366 31.1251 175.9480 24 Q 4.9191 7.3826 113.8584 57.1047 28.5439 176.8916 25 Q 4.0281 8.0199 120.1138 59.3445 29.2929 176.7219 26 C 4.4468 7.8015 113.1300 59.9421 29.5692 172.9422 27 H 5.3204 7.7115 116.5751 53.7937 31.7990 172.5930 28 T 5.0290 8.3257 110.8859 60.1536 70.9508 174.1439 29 I 4.2880 8.4770 124.0862 60.4886 39.3275 175.1666 30 E 4.2298 7.8093 117.8557 56.1350 30.4818 175.4678 31 E 3.9179 8.2377 121.9186 57.5973 29.9129 176.7997 32 G 3.8978 9.1377 114.3889 45.4120 0.0000 172.5935 33 G 3.9297 7.4981 108.2736 43.2108 0.0000 172.9397 34 P 4.5098 0.0000 0.0000 62.3838 32.2410 175.4438 35 N 4.8780 8.3813 116.2859 52.6686 40.4595 175.3422 36 K 4.6407 8.0312 122.0444 55.8328 32.8182 178.5467 37 V 3.7225 8.9012 124.7137 66.1843 31.6865 175.8326 38 G 4.1937 7.8684 105.7536 42.9240 0.0000 171.2118 39 P 4.3859 0.0000 0.0000 61.7838 32.2384 175.7091 40 N 4.5771 8.6540 120.4298 54.0330 39.4617 174.7151 41 L 4.4305 8.9901 124.5632 54.5423 42.3284 175.8001 42 H 4.2441 8.3316 120.4722 57.1563 30.3695 175.3325 43 G 3.9155 9.1792 114.3940 46.1362 0.0000 175.1643 44 I 3.6430 7.4120 121.3973 63.7790 37.8901 177.2132 45 F 4.8840 7.6011 116.1015 58.5643 38.4721 175.7883 46 G 3.8271 7.5476 109.7647 47.2327 0.0000 175.3316 47 R 4.2392 7.5587 115.5107 55.7042 31.1804 174.6560 48 H 5.0639 8.8001 116.4960 53.7646 30.3497 175.6612 49 S 4.1223 8.0539 115.1988 58.8590 63.3676 174.3357 50 G 2.2268 8.5255 111.7364 46.8612 0.0000 173.6459 51 Q 4.4543 7.5670 114.8684 54.7517 31.1186 176.7551 52 V 3.7044 7.8361 118.5749 62.6990 31.8592 175.6015 53 K 4.0869 8.6490 128.7458 57.7276 32.6494 176.5036 54 G 3.9398 9.0623 112.8122 45.9805 0.0000 172.0830 55 Y 4.3877 7.7292 120.4057 54.9571 40.9290 174.7102 56 S 4.1619 7.7550 122.1530 58.0644 62.5991 173.4595 57 Y 4.6102 8.2465 123.2738 57.1350 39.6169 176.0591 58 T 4.4386 8.3807 117.4044 63.1166 70.9562 176.0379 59 D 4.4222 8.7079 123.5938 57.5255 40.7045 179.0814 60 A 4.2010 7.9603 120.1055 54.8475 18.5579 178.7070 61 N 4.4875 8.0496 115.4626 56.7660 39.0812 177.1961 62 I 3.8103 7.6468 120.8204 64.3281 37.0496 177.5433 63 N 4.6700 8.2393 113.6957 54.0087 38.2474 176.4820 64 K 3.9162 7.5631 122.9060 56.5772 33.7230 176.1740 65 N 3.9233 7.2047 113.2978 54.2818 37.5360 172.5133 66 V 4.2198 7.3384 113.1827 58.7521 35.8665 175.7764 67 K 3.9310 8.3343 124.4655 55.1929 32.7551 176.9373 68 W 4.6357 8.4024 126.3917 57.2478 29.5862 175.4896 69 D 5.6077 9.5744 124.7411 50.6922 42.2075 177.1619 70 E 3.7198 8.8217 118.2262 59.9409 29.1544 179.5772 71 D 4.4991 8.1804 118.2998 57.2604 40.8244 179.0828 72 S 4.1818 8.0251 113.9650 61.7447 63.1337 176.2121 73 M 4.0085 8.5606 122.2385 58.1879 31.4372 178.1946 74 S 4.1301 8.2632 113.3867 61.4590 62.4380 175.8252 75 E 3.9513 7.9057 120.6734 59.0775 29.2811 178.0020 76 Y 4.1788 7.9129 119.7835 60.7057 39.0284 177.6897 77 L 3.9545 8.2788 119.5741 57.1993 41.3973 179.7039 78 T 4.2730 7.5900 115.9627 65.5487 69.4474 173.7838 79 N 5.1002 7.9330 119.2479 51.9168 40.6525 172.3083 80 P 3.9415 0.0000 0.0000 63.1589 32.4396 177.9780 *82 K 4.3090 8.0699 120.9519 56.7241 33.7827 176.4592 83 Y 4.4166 8.2911 118.4512 60.0432 39.1318 175.6244 84 I 4.4282 8.4669 122.2451 57.9189 37.5240 170.8383 85 P 4.3314 0.0000 0.0000 64.8354 31.4390 176.7726 86 G 4.1070 9.0718 111.3264 45.2429 0.0000 173.3571 87 T 4.0922 7.6990 114.9812 62.0648 67.7959 173.7288 88 K 4.3818 8.0494 125.0425 57.1207 32.7357 176.2882 89 M 4.0903 7.7993 120.0371 55.5146 32.1141 175.9894 90 A 4.4116 8.3900 130.3915 51.2993 18.1346 175.5399 91 F 4.4964 8.0316 118.2819 58.1942 42.3969 173.9214 92 A 3.8407 8.2319 131.9370 55.6600 18.4926 176.6777 93 G 4.0590 5.7455 98.7487 44.1580 0.0000 174.2898 94 L 4.3934 8.7575 123.0456 53.1107 40.2721 177.2143 95 K 4.0759 8.2799 123.3276 58.2405 32.8676 177.7473 96 K 4.3973 7.8853 119.5700 54.7275 33.0776 176.9071 97 E 4.0163 9.1347 122.7804 59.5599 29.5031 179.5707 98 K 4.0260 8.0455 118.7710 59.2767 32.7678 178.8266 99 D 4.3699 8.0149 120.1980 57.4174 40.7820 178.9826 100 R 4.1099 8.0263 115.9169 59.0935 29.5045 178.4769 101 N 4.5869 8.0105 117.4158 56.5741 38.6804 177.0866 102 D 4.4528 8.3936 120.4234 57.1290 40.7652 178.7524 103 L 4.1039 8.1851 120.9342 58.4154 42.2334 179.1313 104 I 3.8674 8.3806 120.1253 64.4624 36.6135 178.5961 105 T 3.9117 8.1528 116.8398 66.9068 68.4011 175.9094 106 Y 4.0741 8.0778 120.7690 60.8735 38.8399 177.7357 107 M 3.6264 8.3966 119.8559 58.8468 31.6929 178.7216 108 T 3.5165 8.0791 115.9537 66.4758 68.2412 176.8296 109 K 3.8320 7.2731 118.7833 59.4870 32.3293 179.2369 110 A 3.9336 7.2533 118.6466 54.1158 18.4304 179.3643 111 A 3.8764 8.1512 120.6849 54.8546 18.3616 177.6821 112 K 4.1415 7.3492 119.6272 57.2906 33.1399 176.5085 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 A 8.26 4.32 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 2 K 8.01 4.15 0.00 1.99 1.81 0.00 1.96 0.00 0.00 1.82 0.00 0.00 3.28 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.72 7.81 3 E 9.43 4.06 0.00 2.17 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 2.21 2.31 0.00 4 S 7.80 4.65 0.00 3.84 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 5 T 7.98 4.88 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 1.42 0.00 0.00 6 G 8.05 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 F 8.04 4.40 0.00 3.03 3.23 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 8 K 7.09 4.11 0.00 1.46 1.40 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.21 1.49 7.81 9 P 0.00 4.25 0.00 1.94 1.98 0.00 3.51 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 10 G 7.66 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 11 S 9.13 4.32 0.00 3.83 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 12 A 8.60 4.29 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 13 K 8.10 4.15 0.00 1.84 1.85 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.43 7.81 14 K 8.22 3.94 0.00 1.81 1.82 0.00 1.63 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.40 7.81 15 G 8.27 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 16 A 7.60 2.58 1.06 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 0.00 0.00 0.00 0.00 0.00 17 T 7.61 4.03 4.21 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 0.00 0.00 0.00 1.16 0.00 0.00 18 L 7.46 3.93 0.00 2.10 1.90 0.95 0.87 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 19 F 8.10 4.04 0.00 3.28 3.01 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 20 K 7.55 3.95 0.00 1.93 1.92 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.62 1.60 7.81 21 T 8.03 4.21 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 1.23 0.00 0.00 22 R 7.58 4.59 0.00 1.87 2.07 0.00 3.18 0.00 0.00 3.36 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 23 C 8.14 4.17 0.00 1.23 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 0.00 0.00 0.00 24 Q 7.38 4.92 0.00 2.35 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.04 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 25 Q 8.02 4.03 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.90 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 26 C 7.80 4.45 0.00 2.71 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 27 H 7.71 5.32 0.00 3.12 3.18 0.00 5.55 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.33 5.03 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 1.29 0.00 0.00 29 I 8.48 4.29 1.70 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.79 0.64 0.00 0.00 30 E 7.81 4.23 0.00 2.17 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 0.00 2.38 2.29 0.00 31 E 8.24 3.92 0.00 1.25 1.71 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 2.20 2.17 0.00 32 G 9.14 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 33 G 7.50 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 34 P 0.00 4.51 0.00 2.21 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 2.00 2.00 0.00 35 N 8.38 4.88 0.00 2.83 2.94 0.00 0.00 6.70 7.61 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 36 K 8.03 4.64 0.00 1.91 1.27 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.36 1.34 7.81 37 V 8.90 3.72 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 0.78 0.00 0.00 0.92 0.00 0.00 38 G 7.87 4.19 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 0.00 0.00 0.00 39 P 0.00 4.39 0.00 1.82 0.71 0.00 3.49 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.63 0.00 40 N 8.65 4.58 0.00 2.90 2.81 0.00 0.00 7.06 7.93 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 41 L 8.99 4.43 0.00 1.68 1.52 0.79 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 42 H 8.33 4.24 0.00 3.28 3.30 0.00 6.05 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 43 G 9.18 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 44 I 7.41 3.64 1.81 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 0.78 0.35 0.40 0.00 0.00 45 F 7.60 4.88 0.00 3.07 3.05 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 46 G 7.55 3.83 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 0.00 0.00 0.00 47 R 7.56 4.24 0.00 1.94 2.15 0.00 3.01 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.75 0.00 48 H 8.80 5.06 0.00 2.93 3.15 0.00 5.95 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.05 4.12 0.00 3.86 3.28 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 50 G 8.53 2.23 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 51 Q 7.57 4.45 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 52 V 7.84 3.70 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 0.82 0.00 0.00 1.09 0.00 0.00 53 K 8.65 4.09 0.00 1.82 1.75 0.00 1.92 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.49 7.81 54 G 9.06 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 55 Y 7.73 4.39 0.00 2.92 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 56 S 7.76 4.16 0.00 3.84 3.72 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 57 Y 8.25 4.61 0.00 3.06 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 T 8.38 4.44 4.40 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 1.40 0.00 0.00 59 D 8.71 4.42 0.00 2.78 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 60 A 7.96 4.20 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 61 N 8.05 4.49 0.00 3.04 3.15 0.00 0.00 7.25 7.82 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 62 I 7.65 3.81 1.85 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 1.47 1.08 0.85 0.00 0.00 63 N 8.24 4.67 0.00 2.70 2.81 0.00 0.00 7.03 7.55 0.00 0.00 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 K 7.56 3.92 0.00 1.76 1.75 0.00 1.57 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.29 0.00 0.00 0.00 0.00 1.17 1.12 7.81 65 N 7.20 3.92 0.00 2.62 2.64 0.00 0.00 7.00 8.44 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 66 V 7.34 4.22 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 0.57 0.00 0.00 -0.39 0.00 0.00 67 K 8.33 3.93 0.00 1.53 1.65 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.00 1.32 7.81 68 W 8.40 4.64 0.00 3.28 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 69 D 9.57 5.61 0.00 2.87 2.84 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 0.00 0.00 0.00 70 E 8.82 3.72 0.00 1.66 1.12 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 1.57 1.59 0.00 71 D 8.18 4.50 0.00 2.98 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 72 S 8.03 4.18 0.00 4.35 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 73 M 8.56 4.01 0.00 2.38 2.19 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 74 S 8.26 4.13 0.00 4.18 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 75 E 7.91 3.95 0.00 2.11 1.74 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 2.30 2.35 0.00 76 Y 7.91 4.18 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 77 L 8.28 3.95 0.00 1.76 1.75 0.94 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.59 4.27 4.40 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 1.22 0.00 0.00 79 N 7.93 5.10 0.00 2.68 2.69 0.00 0.00 7.23 7.41 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 80 P 0.00 3.94 0.00 2.22 1.83 0.00 3.71 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 2.31 1.83 0.00 *82 K 8.07 4.31 0.00 1.78 2.17 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.65 7.81 83 Y 8.29 4.42 0.00 3.13 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.47 4.43 2.17 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.34 1.03 0.00 0.00 85 P 0.00 4.33 0.00 2.06 2.05 0.00 3.64 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 86 G 9.07 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 0.00 0.00 0.00 87 T 7.70 4.09 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 88 K 8.05 4.38 0.00 1.94 1.94 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.48 7.81 89 M 7.80 4.09 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.58 0.00 90 A 8.39 4.41 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 91 F 8.03 4.50 0.00 2.84 2.86 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 0.00 0.00 0.00 92 A 8.23 3.84 1.04 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 93 G 5.75 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.76 4.39 0.00 1.70 1.73 1.01 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.28 4.08 0.00 1.72 1.86 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.51 1.35 7.81 96 K 7.89 4.40 0.00 1.99 1.74 0.00 1.84 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.42 7.81 97 E 9.13 4.02 0.00 2.16 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 0.00 2.38 2.33 0.00 98 K 8.05 4.03 0.00 1.97 2.11 0.00 1.53 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.47 7.81 99 D 8.01 4.37 0.00 3.04 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 0.00 100 R 8.03 4.11 0.00 2.14 2.27 0.00 3.18 0.00 0.00 3.54 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.89 0.00 101 N 8.01 4.59 0.00 2.97 2.94 0.00 0.00 6.90 7.94 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 0.00 102 D 8.39 4.45 0.00 2.86 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 0.00 103 L 8.19 4.10 0.00 1.89 1.92 1.30 0.89 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 0.00 104 I 8.38 3.87 2.15 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.63 0.57 0.00 0.00 105 T 8.15 3.91 4.53 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 1.32 0.00 0.00 106 Y 8.08 4.07 0.00 3.28 3.15 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 0.00 107 M 8.40 3.63 0.00 2.31 2.40 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.02 2.63 0.00 108 T 8.08 3.52 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 0.88 0.00 0.00 109 K 7.27 3.83 0.00 1.65 1.75 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.62 1.55 7.81 110 A 7.25 3.93 0.72 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 0.00 0.00 111 A 8.15 3.88 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 0.00 112 K 7.35 4.14 0.00 1.90 1.75 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.50 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.