NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 5.0580 8.2681 121.8874 54.8183 43.6205 178.1248 10 E 3.8140 8.5499 117.9239 57.2302 29.4495 175.0533 11 E 3.9704 9.2444 118.8705 58.4851 30.7524 177.5185 12 L 4.7794 7.6523 121.6332 52.4947 43.1239 174.5770 13 P 4.1863 0.0000 0.0000 66.8327 30.8905 177.7487 14 E 3.9669 7.9943 118.3198 58.0542 29.9622 179.4341 15 V 3.5546 7.7988 117.7496 65.9088 31.6364 177.6358 16 A 4.0670 7.9835 120.4354 55.1460 18.2500 178.9469 17 E 3.8897 8.1324 117.7497 59.8076 29.8649 179.0596 18 S 4.1595 8.6825 113.2786 61.2486 62.3023 176.0185 19 F 4.2045 8.7863 123.9202 61.1094 39.1420 176.8248 20 K 3.7706 8.5229 119.7250 59.9459 31.8195 178.3788 21 N 4.3004 8.1943 116.4712 56.0971 38.4301 177.2313 22 F 4.1239 7.9447 121.7247 61.1206 39.4219 177.0926 23 R 3.3422 7.8137 118.6279 59.3207 29.8561 178.0514 24 E 3.8188 8.2256 118.9929 59.0502 29.6558 178.5773 25 A 3.8810 8.0027 120.9253 55.1255 18.2508 179.7766 26 V 3.3277 7.0291 115.2237 66.2447 31.6673 178.3170 27 R 3.9924 8.0711 116.8953 58.1912 29.9310 178.0742 28 S 4.6144 7.6394 111.5985 56.6394 63.9915 173.8903 29 E 3.7489 7.4986 123.6171 57.1552 29.4616 177.0042 30 G 3.8422 8.6071 113.7820 46.5084 0.0000 174.4433 31 K 4.1448 8.0085 119.0817 58.0482 32.3634 177.1884 32 L 4.9029 7.4600 117.3145 52.2706 45.0060 176.7771 33 T 4.1964 8.2058 112.6043 61.0202 70.8298 175.6016 34 E 3.8258 8.5437 121.2487 59.4047 29.6865 178.3188 35 R 3.8721 8.0486 118.1941 59.8874 30.0357 178.0003 36 E 3.9838 8.1355 117.9428 59.4378 29.3305 179.6251 37 K 4.0312 8.0826 118.4936 59.0978 32.1792 179.5203 38 L 3.9701 8.2273 119.7963 57.7186 41.4772 179.4860 39 L 3.9998 8.0162 118.8921 57.7500 41.5233 179.5739 40 I 3.6587 7.8183 119.6264 64.6602 37.1314 178.3951 41 S 3.9989 8.1832 116.0691 61.8062 62.6382 177.3026 42 V 3.5817 7.7110 119.8532 65.9267 31.2986 177.9624 43 A 4.0111 8.2193 120.7885 55.4476 18.1981 179.4462 44 C 4.1384 8.7943 115.5920 63.0551 28.3011 176.4866 45 S 4.1764 8.1742 116.8286 61.4898 62.3785 177.0278 46 V 3.5907 7.9445 120.8170 65.9180 31.1130 177.9173 47 A 4.0779 8.1603 119.7998 54.6811 18.1860 178.9983 48 V 4.1256 7.5572 108.1740 59.9563 32.3122 176.1776 49 R 3.6452 7.6975 116.3438 57.2932 28.3731 176.0234 50 C 4.6625 7.8795 117.6186 55.0883 44.5390 173.3920 51 D 4.2565 8.7349 127.3960 57.1960 40.9496 177.7063 52 A 3.9721 7.9257 120.8302 55.4500 18.4106 180.1270 53 C 4.2633 8.1561 114.4962 60.4068 41.3885 176.2428 54 T 3.8522 7.9682 117.2934 66.6502 68.0182 176.3239 55 R 3.8681 8.1963 120.6080 59.6722 30.1115 178.5876 56 R 3.8791 7.9817 117.4934 59.8296 30.1390 178.9482 57 H 4.3404 8.4991 115.6874 58.4604 28.6849 177.6839 58 A 4.1002 8.2998 122.9983 54.5462 18.2243 179.3352 59 E 3.8199 8.3425 118.2336 59.4702 29.6755 178.4627 60 E 3.9065 8.1331 119.1112 59.4183 29.7527 178.6463 61 A 4.0117 7.9952 120.6050 55.2333 18.5047 179.6590 62 L 4.4222 7.9521 118.8255 57.4150 41.5181 179.2479 63 E 4.1579 8.2318 116.6132 57.9838 29.5447 177.9424 64 A 4.4620 7.2787 119.6329 51.6401 19.4956 177.6537 65 G 4.0162 7.7800 105.0198 45.0394 0.0000 174.5040 66 I 4.0634 7.7892 122.1842 61.1339 37.9241 176.1093 67 T 4.4398 9.1551 116.3937 61.0103 71.2285 175.9203 68 E 4.1105 8.6597 120.8698 59.3839 29.4291 179.8756 69 G 3.6325 8.0166 105.5048 47.7204 0.0000 175.5037 70 E 3.9887 7.9025 120.3548 59.2613 29.5360 179.4581 71 L 4.0183 8.0698 118.7561 57.6729 41.5577 179.5243 72 A 4.0087 8.4468 121.2010 55.0457 18.4109 179.3134 73 E 3.8424 8.4192 117.7413 59.2103 29.7400 178.7915 74 A 3.9673 8.1214 120.6512 55.2966 18.4718 179.5309 75 A 3.9826 8.1461 118.8873 55.1710 18.4890 179.7186 76 A 4.0145 8.1879 119.5476 54.8889 18.2824 180.1728 77 V 3.4827 7.6746 116.7757 66.0957 31.6862 177.8183 78 A 3.9618 7.8086 119.8915 55.4926 18.1896 179.5544 79 A 3.9822 8.0318 118.9905 55.0667 18.3393 179.6518 80 L 3.9333 7.7917 118.8000 58.4099 42.0855 179.3395 81 I 3.8041 8.0928 120.0452 64.1803 36.5137 178.6746 82 R 3.8931 8.1258 118.8824 59.1622 29.6984 178.9666 83 A 4.1374 7.9598 119.4739 55.1238 18.4794 179.5516 84 G 3.7428 8.2747 103.8339 47.9898 0.0000 175.7691 85 S 4.3397 8.5044 116.6943 60.8137 63.0511 176.5963 86 A 4.1590 7.5884 123.7733 52.1432 17.8387 178.6713 *88 N 4.6974 8.2804 120.3076 55.5301 41.0287 176.4769 89 T 4.1260 7.6141 114.6224 65.9904 68.5738 176.5195 90 A 4.1246 8.1743 122.5426 54.1543 18.2034 179.4654 91 S 4.4061 7.8366 111.6334 61.1122 62.8078 176.3988 92 A 4.0376 7.7400 123.6755 54.7587 18.0588 179.1064 93 I 3.5955 7.0655 118.0407 64.1169 37.8372 177.2783 94 F 4.5911 7.2555 117.7214 57.5896 38.5722 175.9337 95 R 4.1927 7.8759 123.8621 56.9067 29.9961 176.8134 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 9 L 8.27 5.06 0.00 1.69 1.70 0.80 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.55 3.81 0.00 2.20 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 2.29 2.36 0.00 11 E 9.24 3.97 0.00 2.13 2.25 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 2.35 2.27 0.00 12 L 7.65 4.78 0.00 1.67 1.64 0.90 1.41 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 13 P 0.00 4.19 0.00 2.27 2.22 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 14 E 7.99 3.97 0.00 2.11 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 2.39 2.44 0.00 15 V 7.80 3.55 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 1.04 0.00 0.00 0.93 0.00 0.00 16 A 7.98 4.07 1.50 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 0.00 0.00 0.00 17 E 8.13 3.89 0.00 2.14 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 2.43 2.41 0.00 18 S 8.68 4.16 0.00 4.24 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 19 F 8.79 4.20 0.00 3.28 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 20 K 8.52 3.77 0.00 2.01 2.06 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.49 7.81 21 N 8.19 4.30 0.00 3.01 2.86 0.00 0.00 6.68 8.20 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 22 F 7.94 4.12 0.00 2.96 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 23 R 7.81 3.34 0.00 1.35 1.85 0.00 3.09 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 24 E 8.23 3.82 0.00 2.04 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 2.27 2.32 0.00 25 A 8.00 3.88 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 26 V 7.03 3.33 1.79 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 0.69 0.00 0.00 0.18 0.00 0.00 27 R 8.07 3.99 0.00 1.92 1.92 0.00 3.14 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 28 S 7.64 4.61 0.00 3.97 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 29 E 7.50 3.75 0.00 2.00 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 0.00 2.30 2.38 0.00 30 G 8.61 3.84 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 0.00 0.00 0.00 31 K 8.01 4.14 0.00 1.77 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.63 7.81 32 L 7.46 4.90 0.00 1.56 1.51 0.90 0.91 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 33 T 8.21 4.20 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 34 E 8.54 3.83 0.00 2.04 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 2.37 2.35 0.00 35 R 8.05 3.87 0.00 1.90 1.92 0.00 3.23 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 36 E 8.14 3.98 0.00 2.06 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 2.32 2.35 0.00 37 K 8.08 4.03 0.00 1.94 1.82 0.00 1.62 0.00 0.00 1.60 0.00 0.00 3.19 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.56 7.81 38 L 8.23 3.97 0.00 1.84 1.71 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.02 4.00 0.00 1.82 1.71 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.82 3.66 1.85 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 1.51 0.93 0.89 0.00 0.00 41 S 8.18 4.00 0.00 3.91 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.71 3.58 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 1.02 0.00 0.00 1.01 0.00 0.00 43 A 8.22 4.01 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 44 C 8.79 4.14 0.00 3.00 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 45 S 8.17 4.18 0.00 4.13 4.03 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 46 V 7.94 3.59 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 1.02 0.00 0.00 0.98 0.00 0.00 47 A 8.16 4.08 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 48 V 7.56 4.13 2.10 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 0.85 0.00 0.00 1.03 0.00 0.00 49 R 7.70 3.65 0.00 1.93 1.97 0.00 3.15 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 50 C 7.88 4.66 0.00 3.01 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 51 D 8.73 4.26 0.00 2.76 2.65 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 52 A 7.93 3.97 1.33 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 0.00 0.00 0.00 53 C 8.16 4.26 0.00 3.05 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 54 T 7.97 3.85 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 1.23 0.00 0.00 55 R 8.20 3.87 0.00 2.05 2.08 0.00 3.15 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 56 R 7.98 3.88 0.00 1.83 1.85 0.00 3.16 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 57 H 8.50 4.34 0.00 3.24 3.34 0.00 5.61 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 58 A 8.30 4.10 1.41 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 0.00 0.00 0.00 59 E 8.34 3.82 0.00 2.22 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 0.00 2.30 2.31 0.00 60 E 8.13 3.91 0.00 2.22 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 2.32 2.34 0.00 61 A 8.00 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 62 L 7.95 4.42 0.00 1.87 1.73 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.23 4.16 0.00 2.07 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 2.62 0.00 64 A 7.28 4.46 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 65 G 7.78 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 0.00 0.00 0.00 66 I 7.79 4.06 2.03 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 1.17 0.93 0.00 0.00 67 T 9.16 4.44 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 68 E 8.66 4.11 0.00 2.03 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 0.00 2.40 2.38 0.00 69 G 8.02 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 70 E 7.90 3.99 0.00 2.21 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 2.33 2.35 0.00 71 L 8.07 4.02 0.00 2.02 1.72 0.92 0.57 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 72 A 8.45 4.01 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 73 E 8.42 3.84 0.00 2.10 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 0.00 2.31 2.37 0.00 74 A 8.12 3.97 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 75 A 8.15 3.98 1.41 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 0.00 0.00 0.00 76 A 8.19 4.01 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 77 V 7.67 3.48 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 1.08 0.00 0.00 1.01 0.00 0.00 78 A 7.81 3.96 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 79 A 8.03 3.98 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 80 L 7.79 3.93 0.00 1.90 1.90 0.93 0.91 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 81 I 8.09 3.80 1.98 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 1.53 0.41 0.92 0.00 0.00 82 R 8.13 3.89 0.00 2.03 1.98 0.00 3.32 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 83 A 7.96 4.14 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 84 G 8.27 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 85 S 8.50 4.34 0.00 4.05 4.14 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 86 A 7.59 4.16 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 *88 N 8.28 4.70 0.00 2.85 3.08 0.00 0.00 7.10 7.22 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 89 T 7.61 4.13 4.39 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 1.20 0.00 0.00 90 A 8.17 4.12 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 91 S 7.84 4.41 0.00 4.25 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 92 A 7.74 4.04 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 93 I 7.07 3.60 0.93 0.00 0.00 0.62 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 0.44 0.44 0.00 0.00 94 F 7.26 4.59 0.00 3.15 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 95 R 7.88 4.19 0.00 2.00 1.93 0.00 3.41 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.