NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.3032 7.8827 121.4191 61.1447 39.0880 173.7827 3 K 4.9188 8.6883 127.2996 54.1837 35.2744 173.7101 4 K 4.8352 8.9100 125.8318 54.9948 37.0310 174.6208 5 E 3.2852 8.0470 120.3668 55.7161 32.4979 174.1386 6 G 3.5902 6.5498 107.7520 44.1552 0.0000 170.3057 7 P 4.2251 0.0000 0.0000 64.4058 31.1041 176.7918 8 G 4.0482 10.4100 111.3135 44.9883 0.0000 171.6625 9 W 5.3224 7.7203 115.1537 55.8302 31.7505 173.4740 10 R 4.8222 8.7564 115.5831 55.6141 32.7526 173.8733 11 I 5.2046 8.8417 121.3056 60.1288 41.8440 174.2020 12 I 4.9920 8.9216 127.4248 59.4767 40.9109 173.9411 13 F 5.1637 9.5143 130.3818 56.3746 41.5157 174.3288 14 D 4.4150 8.1210 125.6432 52.0604 43.0457 176.2640 15 S 4.0607 8.0891 121.1534 59.8234 63.3234 175.4551 16 S 4.2121 8.1447 115.7099 59.9488 63.1786 174.3987 17 R 4.2520 7.5311 123.6525 56.0881 30.5344 176.9497 18 D 4.5885 8.6206 121.1346 54.0728 40.2271 172.6733 19 N 4.6152 7.3218 111.8538 53.0928 39.9314 174.0101 20 F 5.0004 7.8215 123.4655 55.6613 38.3952 175.6447 21 S 4.6171 8.2400 116.8819 58.5317 64.8323 173.8988 22 T 5.0374 8.1692 118.0758 61.7717 71.9276 172.3966 23 L 5.2899 9.1065 128.5517 53.2712 44.5617 174.9286 24 I 5.2074 9.0012 119.8335 59.5135 40.7668 174.7350 25 G 3.8783 9.4648 110.4441 45.0216 0.0000 172.4258 26 G 4.2716 5.7619 110.8185 42.7379 0.0000 172.2362 27 E 3.9809 8.9169 119.2206 58.7648 29.7647 178.6689 28 T 4.6094 7.8081 105.0830 60.7731 69.5475 173.0468 29 W 5.2447 7.1555 117.9947 55.8127 31.1377 172.9895 30 A 5.3146 8.3732 119.0007 51.0872 21.4893 175.7416 31 I 4.7932 9.1650 114.6981 59.2529 41.4187 174.2098 32 E 5.1041 8.7683 122.9414 55.4180 31.3934 175.4521 33 L 5.4502 9.4607 122.9290 53.0286 46.0304 176.4869 34 D 5.5408 9.7814 124.4976 52.4009 40.9675 178.3136 35 K 4.2434 8.7263 123.8030 59.9443 31.5538 177.8474 36 S 4.4329 8.2115 115.1710 61.4964 63.0515 176.3429 37 E 4.2891 9.3138 122.8814 58.7553 29.1831 179.1354 38 W 4.5388 8.8293 128.6088 60.4901 30.8857 177.7904 39 K 3.6005 8.3165 119.5294 59.6108 31.5687 178.7236 40 I 3.6779 7.9817 119.9428 64.1434 36.9586 177.9979 41 L 3.2116 7.8737 121.1031 58.0475 41.5937 179.1844 42 V 3.1699 6.9028 116.4864 65.8800 31.3852 177.4671 43 E 3.9826 7.6039 117.1389 59.2531 29.4979 179.2482 44 V 3.7026 7.9439 118.6072 65.7995 31.5376 179.6595 45 V 3.8203 7.6629 116.9874 63.0307 31.2447 177.2602 *47 E 4.1548 8.1734 119.1075 55.6756 31.3912 177.5519 48 L 3.8208 8.0019 118.8084 57.7542 41.4558 179.0653 49 C 3.6724 8.0868 118.7723 62.4622 31.5567 175.2341 50 D 4.3217 7.9746 119.8601 57.6361 40.4552 178.7996 51 Q 3.9311 8.1415 118.4396 58.9823 28.6948 178.1995 52 Y 3.8917 8.0590 120.7408 60.6562 38.5758 178.2060 53 K 3.7925 7.9854 118.2564 59.3181 32.1706 178.7939 54 L 3.9912 7.3942 119.2270 58.0823 42.3687 178.8690 55 V 3.5789 7.6872 118.2316 65.5865 31.5276 177.4990 56 K 3.4292 7.9443 120.2543 59.5773 31.8361 178.1146 57 E 4.1144 7.8454 114.7127 58.1546 29.6246 177.5729 58 Q 4.2059 7.7426 116.7987 56.7653 29.4562 176.8064 59 L 4.6477 6.5136 116.7473 53.8536 43.3530 177.3894 *61 G 4.0896 7.9415 108.9612 46.6294 0.0000 173.1259 62 D 4.8918 8.8935 124.8738 52.7650 39.0533 175.8158 63 E 3.9227 8.1431 120.8832 57.6481 29.9186 175.2893 64 D 5.2539 8.5058 124.9612 52.9179 43.2903 175.5234 65 I 4.7035 8.9307 121.6027 59.5992 41.4988 174.1918 66 T 5.1487 8.5807 124.3018 61.8141 72.0617 173.0521 67 L 4.7758 9.0246 125.9821 52.8526 45.0847 175.2807 68 E 5.0503 8.9224 122.8277 54.5476 32.1200 175.0089 69 L 4.7251 8.9875 127.4617 53.0136 45.0517 174.4858 70 E 5.1590 8.9218 127.0038 54.5772 31.8695 175.4774 71 R 4.4906 9.1159 125.3892 54.0119 32.2646 174.6041 72 R 4.1749 8.6820 121.6959 56.6820 30.6934 174.7762 73 P 4.7052 0.0000 0.0000 62.7598 32.7368 174.7641 74 W 5.3747 8.4879 120.7835 55.3684 31.9666 174.7640 75 L 5.1471 9.3072 125.6300 53.4193 44.2114 174.6607 76 A 5.2341 9.1813 129.0929 50.2606 21.7664 175.1846 77 I 4.8168 8.7640 122.8572 59.4842 40.5326 174.2532 78 L 5.0182 8.7551 130.5998 53.7798 43.6798 174.7698 79 N 5.3482 8.8977 124.7342 52.2419 42.1602 173.1547 80 G 4.1967 8.9802 112.4958 47.5242 0.0000 170.2299 81 D 4.7272 8.3814 119.8474 52.9636 41.9053 175.6328 82 Q 4.0278 8.4719 116.0350 58.8003 28.6049 176.2728 83 Y 4.5258 8.4106 115.7060 57.3689 38.9304 175.4145 84 G 4.1182 7.1109 107.8395 45.6090 0.0000 170.6933 85 W 5.7159 7.1204 114.5317 55.1311 31.4428 173.5837 86 N 5.1635 9.4646 119.4996 51.1463 40.4916 173.0195 87 L 5.3932 8.5308 120.5247 53.4600 45.6903 174.7390 88 R 5.1774 9.3424 126.7697 54.5488 32.9981 174.1977 89 L 5.3118 9.3108 125.7131 53.0121 45.3645 175.3635 90 I 4.7177 9.1511 124.7960 59.5751 39.9074 174.4255 91 L 4.4807 8.8731 131.1664 53.2277 43.1211 175.8633 92 S 4.6056 8.7562 123.6755 57.9398 63.5733 174.5471 93 A 4.3747 8.5004 125.4402 52.2142 18.7720 177.5087 94 S 4.5485 8.9116 113.0925 56.8650 64.3601 174.6578 95 G 3.9139 7.2466 107.6533 46.3315 0.0000 173.2364 96 L 3.8143 8.6196 120.2899 57.1842 42.1219 178.7588 97 F 5.0315 7.2458 111.6642 57.8344 41.2245 175.7944 98 N 5.0168 8.0067 119.4047 51.6473 37.1984 174.7706 99 R 4.2837 8.1582 118.6981 55.8725 30.6478 177.2340 100 G 3.9278 8.5060 107.4135 46.5798 0.0000 172.2863 101 A 4.7197 8.4916 121.0509 50.9396 23.3939 175.2521 102 E 5.0595 8.3738 117.7266 54.9231 33.2032 175.6916 103 V 3.8471 8.6990 116.7718 59.4828 36.3252 173.8584 104 Y 5.1687 7.5938 122.1946 55.8766 42.0431 174.0421 105 W 5.0865 8.6747 126.1731 54.2413 32.3981 174.2558 106 P 4.5852 0.0000 0.0000 61.4300 31.5461 177.0277 107 R 4.2831 8.8874 116.7413 58.9817 29.8357 178.2816 108 H 4.2014 7.9339 109.5654 56.3023 29.2027 176.1096 109 V 4.0463 7.2574 119.1767 63.6981 32.9895 177.0949 110 T 3.1660 6.6858 110.0147 64.6890 68.1529 176.0157 111 N 4.0464 7.3723 118.5528 55.9564 38.5839 176.9821 112 N 3.9701 7.4531 117.3031 55.8959 38.3821 177.5125 113 V 2.2948 6.3415 118.4717 65.4966 31.5282 177.9237 114 V 3.5787 7.1997 116.7956 65.9990 31.6240 177.3976 115 N 4.4474 7.9908 115.9850 55.9782 38.0889 177.9816 116 A 3.9374 7.2529 118.7622 52.6410 18.4077 178.2556 *118 R 4.2375 7.9786 123.0279 57.6162 31.9503 175.4575 119 S 4.3548 8.0273 116.0393 58.4282 63.1975 173.6843 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 I 7.88 4.30 2.05 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 1.32 1.03 0.98 0.00 0.00 3 K 8.69 4.92 0.00 1.77 1.60 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.22 1.47 7.81 4 K 8.91 4.84 0.00 1.89 1.94 0.00 1.91 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.46 7.81 5 E 8.05 3.29 0.00 1.47 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 1.89 1.95 0.00 6 G 6.55 3.59 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 0.00 0.00 0.00 7 P 0.00 4.23 0.00 2.12 2.08 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 8 G 10.41 4.05 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 0.00 9 W 7.72 5.32 0.00 3.33 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.76 4.82 0.00 1.77 1.76 0.00 2.65 0.00 0.00 3.04 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.56 0.00 11 I 8.84 5.20 2.09 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.12 0.85 0.00 0.00 12 I 8.92 4.99 1.84 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 1.08 0.64 0.86 0.00 0.00 13 F 9.51 5.16 0.00 2.74 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 14 D 8.12 4.41 0.00 2.49 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 0.00 0.00 0.00 0.00 15 S 8.09 4.06 0.00 4.09 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 16 S 8.14 4.21 0.00 3.94 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 17 R 7.53 4.25 0.00 1.88 1.88 0.00 3.29 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 18 D 8.62 4.59 0.00 2.69 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.32 4.62 0.00 2.03 2.52 0.00 0.00 6.22 8.12 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 20 F 7.82 5.00 0.00 3.20 3.07 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 21 S 8.24 4.62 0.00 3.92 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 22 T 8.17 5.04 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 0.50 0.00 0.00 23 L 9.11 5.29 0.00 1.68 1.51 0.93 0.83 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 24 I 9.00 5.21 2.57 0.00 0.00 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 1.58 1.20 1.42 0.00 0.00 25 G 9.46 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 26 G 5.76 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 27 E 8.92 3.98 0.00 2.25 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 2.29 1.87 0.00 28 T 7.81 4.61 4.35 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 1.29 0.00 0.00 29 W 7.16 5.24 0.00 3.53 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 5.31 1.22 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 0.00 0.00 31 I 9.16 4.79 1.94 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.94 0.99 0.00 0.00 32 E 8.77 5.10 0.00 1.76 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 2.29 2.31 0.00 33 L 9.46 5.45 0.00 1.87 1.94 1.62 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 34 D 9.78 5.54 0.00 2.87 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 35 K 8.73 4.24 0.00 1.78 1.86 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.07 7.81 36 S 8.21 4.43 0.00 4.12 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 0.00 37 E 9.31 4.29 0.00 2.46 2.46 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 2.31 2.56 0.00 38 W 8.83 4.54 0.00 3.60 3.43 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 39 K 8.32 3.60 0.00 2.00 2.00 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.45 7.81 40 I 7.98 3.68 2.17 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.71 1.13 0.00 0.00 41 L 7.87 3.21 0.00 1.12 1.59 -0.03 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 42 V 6.90 3.17 1.49 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 0.64 0.00 0.00 -0.50 0.00 0.00 43 E 7.60 3.98 0.00 2.06 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 0.00 2.26 2.30 0.00 44 V 7.94 3.70 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 1.00 0.00 0.00 0.97 0.00 0.00 45 V 7.66 3.82 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 1.08 0.00 0.00 0.87 0.00 0.00 *47 E 8.17 4.15 0.00 2.11 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 2.23 2.34 0.00 48 L 8.00 3.82 0.00 1.63 1.37 0.90 1.01 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 49 C 8.09 3.67 0.00 3.00 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 50 D 7.97 4.32 0.00 2.83 2.66 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 51 Q 8.14 3.93 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 52 Y 8.06 3.89 0.00 2.65 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 53 K 7.99 3.79 0.00 1.88 1.83 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.79 7.81 54 L 7.39 3.99 0.00 1.83 1.76 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 55 V 7.69 3.58 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 0.83 0.00 0.00 0.92 0.00 0.00 56 K 7.94 3.43 0.00 0.93 1.59 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.27 1.20 7.81 57 E 7.85 4.11 0.00 1.93 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 0.00 2.22 2.21 0.00 58 Q 7.74 4.21 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 59 L 6.51 4.65 0.00 1.67 1.58 0.86 0.77 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 *61 G 7.94 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 0.00 0.00 0.00 62 D 8.89 4.89 0.00 2.89 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 63 E 8.14 3.92 0.00 2.02 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 2.39 2.37 0.00 64 D 8.51 5.25 0.00 2.62 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.93 4.70 1.90 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 1.63 1.13 0.00 0.00 66 T 8.58 5.15 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 1.27 0.00 0.00 67 L 9.02 4.78 0.00 1.48 1.48 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.92 5.05 0.00 1.81 1.87 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 2.22 2.28 0.00 69 L 8.99 4.73 0.00 1.69 1.46 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.92 5.16 0.00 2.03 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 2.22 2.57 0.00 71 R 9.12 4.49 0.00 1.93 1.89 0.00 3.21 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 72 R 8.68 4.17 0.00 1.82 1.90 0.00 3.21 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 73 P 0.00 4.71 0.00 1.93 2.12 0.00 3.68 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 1.43 1.79 0.00 74 W 8.49 5.37 0.00 3.43 3.07 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 75 L 9.31 5.15 0.00 1.77 1.57 1.01 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 76 A 9.18 5.23 1.22 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 0.00 0.00 77 I 8.76 4.82 1.95 0.00 0.00 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 1.16 0.90 0.97 0.00 0.00 78 L 8.76 5.02 0.00 1.54 1.40 -0.43 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.90 5.35 0.00 2.88 2.97 0.00 0.00 6.52 8.04 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 80 G 8.98 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 0.00 0.00 0.00 0.00 81 D 8.38 4.73 0.00 2.98 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 82 Q 8.47 4.03 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.95 0.00 0.00 0.00 0.00 0.00 1.61 1.16 0.00 83 Y 8.41 4.53 0.00 3.17 3.08 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 84 G 7.11 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 85 W 7.12 5.72 0.00 3.28 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 86 N 9.46 5.16 0.00 2.71 2.97 0.00 0.00 6.47 6.22 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 87 L 8.53 5.39 0.00 2.07 1.72 1.13 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 88 R 9.34 5.18 0.00 2.14 1.85 0.00 3.13 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 89 L 9.31 5.31 0.00 1.59 1.81 0.84 0.59 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 90 I 9.15 4.72 1.93 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 1.13 0.91 0.91 0.00 0.00 91 L 8.87 4.48 0.00 1.10 1.43 -0.32 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.76 4.61 0.00 3.67 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 93 A 8.50 4.37 1.22 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 0.00 0.00 94 S 8.91 4.55 0.00 3.91 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 95 G 7.25 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 0.00 0.00 0.00 96 L 8.62 3.81 0.00 1.24 0.86 0.70 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 97 F 7.25 5.03 0.00 3.32 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 98 N 8.01 5.02 0.00 2.80 2.83 0.00 0.00 6.92 7.66 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 99 R 8.16 4.28 0.00 1.77 1.91 0.00 2.97 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 100 G 8.51 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 0.00 101 A 8.49 4.72 1.11 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 0.00 102 E 8.37 5.06 0.00 1.69 1.73 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 2.15 2.25 0.00 103 V 8.70 3.85 0.67 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 -0.20 0.00 0.00 0.28 0.00 0.00 104 Y 7.59 5.17 0.00 2.76 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.67 5.09 0.00 3.27 2.66 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 0.00 106 P 0.00 4.59 0.00 2.24 2.38 0.00 3.84 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.05 0.00 107 R 8.89 4.28 0.00 1.90 1.99 0.00 3.46 0.00 0.00 3.40 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 108 H 7.93 4.20 0.00 3.22 3.40 0.00 5.66 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.26 4.05 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 0.87 0.00 0.00 0.97 0.00 0.00 110 T 6.69 3.17 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 111 N 7.37 4.05 0.00 2.52 2.75 0.00 0.00 7.14 6.92 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 0.00 112 N 7.45 3.97 0.00 2.09 2.25 0.00 0.00 6.76 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 0.00 113 V 6.34 2.29 1.19 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 -0.40 0.00 0.00 -0.60 0.00 0.00 114 V 7.20 3.58 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 0.90 0.00 0.00 1.08 0.00 0.00 115 N 7.99 4.45 0.00 2.80 2.77 0.00 0.00 6.91 6.84 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 0.00 116 A 7.25 3.94 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 *118 R 7.98 4.24 0.00 1.87 2.10 0.00 3.22 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 119 S 8.03 4.35 0.00 4.06 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 * Residues marked with a * may have inaccurate shift predictions.