NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-3 Y 4.6515 8.1449 119.1725 56.7558 37.5882 173.8221 -2 F 4.6310 8.6178 124.4098 54.3597 41.6529 174.2374 -1 Q 4.4438 8.5246 123.0920 55.7540 32.2675 176.1056 0 G 3.5736 8.9936 113.2320 45.6199 0.0000 175.3299 -1 K 4.4238 8.4946 123.6920 56.2540 35.9675 176.7056 0 I 3.7836 8.6636 124.3320 61.6199 34.4012 176.8299 4 T 4.2601 8.6967 118.2546 60.6126 72.0059 175.0676 5 T 3.4875 7.9616 109.9645 63.8409 68.4942 176.3052 6 K 3.9976 7.9837 122.6224 59.5352 32.1994 179.1884 7 G 3.6452 8.7747 106.2339 48.0241 0.0000 175.8619 8 R 3.9829 7.7210 120.0412 59.2403 30.0845 178.7564 9 Y 4.5992 8.3338 116.9413 60.5085 37.7343 178.3060 10 G 3.6670 8.2548 107.2010 47.9191 0.0000 175.6782 11 L 4.0702 7.8866 122.9472 57.1085 41.6077 179.5820 12 T 3.8828 7.9314 115.6764 66.7935 68.3360 176.5877 13 I 3.6481 7.9988 121.8125 64.7350 36.7960 178.7579 14 T 3.8856 8.1747 110.8320 64.6642 68.6197 176.5735 15 L 4.0518 8.4697 122.2752 57.7121 41.4227 179.3098 16 E 4.0182 7.9906 117.5141 59.3743 29.7112 179.1073 17 L 4.1423 8.3243 119.1722 57.6583 41.4298 179.3757 18 A 4.0327 8.2603 120.3911 55.0942 18.4155 179.6039 19 K 4.1909 8.0991 115.6568 58.2946 32.2046 178.1704 20 R 5.0058 7.4343 117.2346 54.7238 30.7517 175.4406 21 I 3.7823 7.7618 118.9259 63.2011 37.2863 176.7423 22 G 3.9580 8.9486 112.6704 45.8258 0.0000 173.3927 23 D 4.5124 8.4124 119.3678 53.9622 41.1283 177.0995 24 G 4.1992 7.9846 105.0333 43.7297 0.0000 171.3769 25 P 4.4994 0.0000 0.0000 63.0738 31.9732 176.1960 26 I 4.5756 8.9571 125.4824 59.3783 39.5318 175.3327 27 S 4.5509 8.6281 122.1309 58.0025 63.9705 175.3499 28 L 4.0207 8.9958 122.9446 57.8489 41.2634 179.6584 29 R 3.9838 8.0818 118.5023 59.6147 29.9974 178.4501 30 S 4.1309 8.4331 114.2650 61.5739 62.7757 176.5424 31 I 3.6529 7.6966 122.6585 63.9225 36.7846 178.2056 32 A 3.9199 8.4180 121.9766 55.2059 18.2589 179.6529 33 Q 3.8798 8.3661 116.8153 59.1598 28.6353 178.3085 34 D 4.3742 7.9036 117.5172 57.1337 41.2825 177.8485 35 K 4.3127 8.0028 115.3276 54.6769 33.2314 175.9498 36 N 4.0725 7.6301 116.1107 55.0888 37.6019 172.8374 37 L 4.6017 7.7125 116.2524 52.3595 45.3343 177.4897 38 S 4.3009 8.3413 114.2578 57.8534 62.9569 173.9774 39 E 3.9060 8.8655 130.4925 59.8149 29.2495 177.9137 40 H 4.1734 8.2856 116.4448 59.5561 30.1687 176.0899 41 Y 4.2621 8.2496 121.1731 60.7345 38.6871 177.6277 42 L 3.8512 8.2218 120.0731 58.0080 40.9517 179.3726 43 E 3.9411 8.3469 118.3342 59.4565 29.1159 179.2664 44 Q 4.0909 7.7379 116.9205 57.9602 28.6829 177.6483 45 L 4.1300 7.4134 119.7409 56.4962 41.8982 178.7466 46 I 3.3533 7.1162 119.4453 63.4607 37.7334 177.9659 47 G 3.6324 7.9255 106.4033 47.5937 0.0000 173.7861 48 P 4.4215 0.0000 0.0000 64.7794 31.3598 178.8468 49 L 3.9852 7.4344 117.8209 57.4988 41.4039 179.4798 50 R 4.1578 8.1690 120.3403 59.1812 29.9473 178.4319 51 N 4.3170 8.4891 114.7224 55.5931 38.5619 176.2212 52 A 4.4310 7.5820 119.6319 51.7417 19.2796 178.0029 53 G 3.9370 8.1971 106.2634 45.2332 0.0000 174.8413 54 I 4.0374 7.9177 121.7393 63.3724 37.9473 176.2800 55 V 5.0513 7.7497 113.0347 59.2654 36.3866 174.5837 56 K 4.8969 9.1327 123.1773 54.7121 35.2690 175.2090 57 S 4.4979 8.7747 121.4738 57.4435 64.8668 173.3959 58 I 4.3862 8.5064 123.3949 59.5593 39.4428 175.4066 59 R 4.1991 8.4701 126.4030 56.7164 31.3275 175.5146 60 G 3.6019 9.0799 106.3058 44.0414 0.0000 174.0790 61 A 3.9419 8.4981 120.8349 55.7711 18.1362 178.5845 62 H 4.7499 8.0679 109.6684 55.6900 29.2904 177.2618 63 G 3.8898 7.8742 111.3361 46.2513 0.0000 174.0429 64 G 3.8255 6.6466 108.3076 45.6779 0.0000 171.3938 65 Y 5.2671 8.4440 120.5983 56.3414 42.4778 175.1834 66 V 4.8476 8.5881 114.1232 59.0652 36.3306 174.8797 67 L 4.2573 8.6279 125.4313 54.9453 42.6518 176.5730 68 N 4.9071 8.6402 127.0066 53.1033 38.7897 174.1303 69 G 3.8662 7.4198 105.1561 45.4312 0.0000 171.9374 70 D 4.6199 7.9187 119.0305 52.3866 41.8043 175.5487 71 P 4.3523 0.0000 0.0000 65.2400 31.4337 177.5459 72 E 4.2415 8.7261 117.8041 57.3826 29.7921 177.1904 73 K 4.3961 8.0536 117.8397 57.2054 34.3792 177.0012 74 I 4.0480 7.6291 120.7490 61.2384 37.4675 175.6196 75 T 4.8032 9.0550 116.7195 60.1951 71.8211 175.6547 76 A 4.0755 8.8859 124.0196 55.3160 18.1837 180.4124 77 G 3.5127 8.3404 104.3368 47.8314 0.0000 175.3122 78 D 4.4320 8.3504 121.8633 57.5267 40.7586 179.4395 79 I 3.7219 7.4287 119.4975 64.4896 37.1606 178.5433 80 I 3.6977 8.0164 120.8636 64.6030 36.8073 178.6510 81 R 4.0416 8.1196 117.0579 58.6318 30.0346 178.7515 82 T 4.0380 7.4675 114.5110 65.7544 68.4969 175.7810 83 L 4.4097 7.5104 119.1552 54.4620 43.1158 176.7423 84 E 4.4297 7.6930 117.7475 54.5400 30.8603 176.1120 85 G 3.8494 8.2169 110.5615 44.0909 0.0000 171.4935 86 P 4.1806 0.0000 0.0000 63.0477 31.6033 176.1317 87 I 4.2774 8.1537 122.8743 59.4312 38.6514 175.2536 88 V 3.9709 8.1858 125.8781 61.6246 32.0949 175.3423 89 L 4.1259 8.6218 129.9807 57.6115 42.3455 177.0322 90 V 4.2083 7.1339 114.2360 60.2393 33.7581 172.2597 91 E 4.5245 8.0890 122.2153 54.4162 32.2070 176.1734 92 S 4.9205 8.2200 125.9223 58.1113 62.9123 174.4747 *94 E 4.4903 8.7929 110.5748 55.9863 31.6080 174.3232 95 D 4.4518 8.0330 116.5677 54.6823 39.9242 176.5508 96 E 4.0830 7.7237 121.0242 56.5885 30.1831 176.2742 97 E 4.5534 8.3302 121.3787 54.4438 33.4263 176.9147 98 A 3.9832 8.3953 120.2707 55.4654 18.0205 179.5088 99 A 3.8593 7.8299 117.8635 55.5457 18.7520 179.4718 100 Q 3.6813 7.8127 115.9325 58.9863 28.8016 178.8668 101 R 3.9252 7.9159 119.0021 59.1266 29.9989 178.6879 102 E 3.8715 7.9662 119.3407 58.9020 29.3204 178.6719 103 L 3.8286 7.1251 119.3644 57.8464 42.2038 178.5777 104 W 4.8341 7.4800 117.1133 60.1937 29.3079 178.0355 105 T 4.1690 8.2703 115.7574 66.7665 67.9272 177.7842 106 R 4.0626 7.9006 116.4773 56.9067 29.8648 178.5855 *108 R 4.2460 7.9016 120.4053 56.5792 31.8978 177.1819 109 N 4.3309 8.6697 115.3346 56.3983 38.4787 177.3060 110 A 3.9853 8.1091 122.1001 55.0648 18.4800 179.9496 111 V 3.5473 7.6896 116.3462 65.9392 31.7474 177.8944 112 R 3.8794 8.3039 118.9034 59.7811 29.8988 178.1405 113 D 4.3613 8.3843 118.7334 57.3067 40.8410 179.0184 114 V 3.5829 7.6678 118.2362 65.9934 31.5148 178.0314 115 L 3.9772 7.9257 118.6953 57.9284 41.2911 178.9697 116 D 4.4955 8.1655 116.7032 55.7597 41.0928 177.6689 117 Q 4.5760 7.9762 116.4221 54.8627 30.3207 175.3599 118 T 4.4996 7.4810 118.5571 62.6027 69.5707 174.7711 119 T 4.8308 8.7821 117.8775 60.2081 72.0764 175.8565 120 L 4.0031 8.3928 121.0644 57.9486 41.6068 180.0295 121 S 4.1087 8.2665 115.2111 61.6869 62.8951 176.2484 122 D 4.4011 8.1214 121.4289 57.5876 40.3966 179.0976 123 L 4.0227 7.6319 117.6940 57.9444 41.7337 179.3625 124 L 4.1833 7.9798 117.7850 57.7111 41.5498 179.4817 125 K 3.9341 8.0315 117.8908 57.6626 33.3354 177.1773 126 H 4.0479 7.5790 112.4987 56.5660 27.4402 174.6016 127 S 4.5465 7.6135 111.7778 59.2911 64.3813 175.1421 128 T 4.2268 7.6346 118.5321 62.5889 69.1491 173.8459 129 D 4.4512 8.6345 125.7922 54.1404 41.4869 176.3367 130 S 4.2916 8.8311 122.0731 59.6594 63.2249 174.8056 131 E 3.7172 8.2580 117.5244 56.9511 27.2474 174.9494 132 L 4.2715 7.4333 120.6385 53.0138 40.3660 176.2663 133 T 3.9024 8.1768 114.5968 64.4925 68.7157 173.8348 134 D 4.2492 7.8900 118.3880 52.6704 42.1421 175.6598 135 G 3.4894 8.1911 106.6980 46.2173 0.0000 173.4804 136 Y 4.4664 7.7886 109.3298 56.1982 38.5675 174.3617 *138 F 4.0420 7.7717 116.3479 57.2768 39.6008 174.5054 139 Y 4.5708 8.1249 123.1179 56.9421 39.0395 176.2088 140 I 4.1242 8.3972 115.3051 61.1649 38.0287 175.5586 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 *-3 Y 8.14 4.65 0.00 2.35 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 0.00 0.00 0.00 0.00 -2 F 8.62 4.63 0.00 2.92 2.97 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 0.00 0.00 0.00 -1 Q 8.52 4.44 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.71 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 0 G 8.99 3.57 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 0.00 0.00 0.00 -1 K 8.49 4.42 0.00 1.70 1.77 0.00 0.61 0.00 0.00 1.71 0.00 0.00 2.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.30 7.81 0 I 8.66 3.78 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 0.48 0.91 0.00 0.00 4 T 8.70 4.26 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 1.19 0.00 0.00 5 T 7.96 3.49 2.93 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 0.75 0.00 0.00 6 K 7.98 4.00 0.00 2.03 1.83 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.47 1.48 7.81 7 G 8.77 3.65 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 0.00 0.00 0.00 8 R 7.72 3.98 0.00 1.70 2.02 0.00 3.01 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 9 Y 8.33 4.60 0.00 3.03 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 10 G 8.25 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 0.00 0.00 0.00 11 L 7.89 4.07 0.00 1.93 1.75 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.93 3.88 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 1.16 0.00 0.00 13 I 8.00 3.65 1.96 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.79 0.82 0.00 0.00 14 T 8.17 3.89 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 1.22 0.00 0.00 15 L 8.47 4.05 0.00 1.74 1.77 0.94 0.94 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 16 E 7.99 4.02 0.00 2.11 2.02 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 2.55 2.48 0.00 17 L 8.32 4.14 0.00 1.83 1.82 0.95 1.34 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 18 A 8.26 4.03 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 19 K 8.10 4.19 0.00 1.95 1.90 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.69 7.81 20 R 7.43 5.01 0.00 1.84 1.96 0.00 3.48 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 21 I 7.76 3.78 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 1.36 0.74 0.92 0.00 0.00 22 G 8.95 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 0.00 0.00 0.00 23 D 8.41 4.51 0.00 2.83 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 24 G 7.98 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 25 P 0.00 4.50 0.00 1.99 1.95 0.00 3.65 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 2.14 2.10 0.00 26 I 8.96 4.58 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 1.31 0.96 0.93 0.00 0.00 27 S 8.63 4.55 0.00 3.92 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 28 L 9.00 4.02 0.00 1.77 1.78 0.80 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.08 3.98 0.00 1.88 1.94 0.00 3.19 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 30 S 8.43 4.13 0.00 4.05 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 31 I 7.70 3.65 1.85 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 1.45 0.82 0.87 0.00 0.00 32 A 8.42 3.92 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 33 Q 8.37 3.88 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.69 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 34 D 7.90 4.37 0.00 2.72 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 35 K 8.00 4.31 0.00 1.62 1.71 0.00 1.90 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.50 1.50 7.81 36 N 7.63 4.07 0.00 2.77 2.78 0.00 0.00 6.90 8.17 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 37 L 7.71 4.60 0.00 1.44 1.29 0.33 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.34 4.30 0.00 3.93 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 39 E 8.87 3.91 0.00 2.09 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 2.40 0.00 40 H 8.29 4.17 0.00 3.16 3.41 0.00 5.98 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.25 4.26 0.00 3.12 3.20 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 42 L 8.22 3.85 0.00 1.84 1.63 0.85 0.93 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 43 E 8.35 3.94 0.00 2.18 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 2.37 2.54 0.00 44 Q 7.74 4.09 0.00 1.85 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 45 L 7.41 4.13 0.00 1.61 1.54 0.81 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.12 3.35 1.61 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 -0.30 0.81 0.76 0.00 0.00 47 G 7.93 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 48 P 0.00 4.42 0.00 2.11 2.07 0.00 3.65 0.00 0.00 3.70 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 49 L 7.43 3.99 0.00 1.75 1.65 0.83 0.70 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 50 R 8.17 4.16 0.00 1.99 2.08 0.00 3.21 0.00 0.00 3.40 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 51 N 8.49 4.32 0.00 2.67 2.87 0.00 0.00 7.04 7.33 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 52 A 7.58 4.43 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 G 8.20 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 54 I 7.92 4.04 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.57 0.90 0.00 0.00 55 V 7.75 5.05 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 0.89 0.00 0.00 0.94 0.00 0.00 56 K 9.13 4.90 0.00 1.79 1.62 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.36 7.81 57 S 8.77 4.50 0.00 3.57 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 58 I 8.51 4.39 1.76 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 1.14 1.01 0.86 0.00 0.00 59 R 8.47 4.20 0.00 1.65 1.81 0.00 3.15 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 60 G 9.08 3.60 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 0.00 0.00 0.00 61 A 8.50 3.94 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 62 H 8.07 4.75 0.00 3.08 3.33 0.00 5.90 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 63 G 7.87 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 0.00 0.00 0.00 64 G 6.65 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 65 Y 8.44 5.27 0.00 2.90 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 66 V 8.59 4.85 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 0.78 0.00 0.00 0.95 0.00 0.00 67 L 8.63 4.26 0.00 1.65 1.59 0.95 0.96 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 68 N 8.64 4.91 0.00 2.71 3.02 0.00 0.00 7.06 7.65 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 69 G 7.42 3.87 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 0.00 0.00 0.00 70 D 7.92 4.62 0.00 2.69 2.55 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 0.00 0.00 0.00 0.00 71 P 0.00 4.35 0.00 2.26 2.30 0.00 3.74 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 72 E 8.73 4.24 0.00 2.02 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 2.42 0.00 73 K 8.05 4.40 0.00 1.81 1.82 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.37 7.81 74 I 7.63 4.05 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 1.47 1.00 0.95 0.00 0.00 75 T 9.05 4.80 4.50 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 1.30 0.00 0.00 76 A 8.89 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 77 G 8.34 3.51 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 0.00 0.00 0.00 0.00 78 D 8.35 4.43 0.00 2.90 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.43 3.72 1.86 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 1.68 0.93 0.91 0.00 0.00 80 I 8.02 3.70 1.90 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 1.70 0.96 0.88 0.00 0.00 81 R 8.12 4.04 0.00 1.84 1.97 0.00 3.15 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 82 T 7.47 4.04 4.37 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 1.20 0.00 0.00 83 L 7.51 4.41 0.00 1.53 1.64 0.90 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 84 E 7.69 4.43 0.00 2.02 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 2.25 2.35 0.00 85 G 8.22 3.85 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 0.00 0.00 0.00 86 P 0.00 4.18 0.00 2.03 2.01 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 87 I 8.15 4.28 1.85 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 1.45 0.76 0.88 0.00 0.00 88 V 8.19 3.97 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 0.72 0.00 0.00 0.90 0.00 0.00 89 L 8.62 4.13 0.00 1.61 1.64 0.92 0.98 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 90 V 7.13 4.21 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 0.39 0.00 0.00 -0.23 0.00 0.00 91 E 8.09 4.52 0.00 1.81 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 2.12 2.19 0.00 92 S 8.22 4.92 0.00 4.08 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.79 4.49 0.00 1.96 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 2.21 1.88 0.00 95 D 8.03 4.45 0.00 2.78 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 96 E 7.72 4.08 0.00 2.08 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 2.44 2.40 0.00 97 E 8.33 4.55 0.00 1.97 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 2.31 2.48 0.00 98 A 8.40 3.98 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 99 A 7.83 3.86 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 0.00 100 Q 7.81 3.68 0.00 2.14 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 101 R 7.92 3.93 0.00 2.00 2.03 0.00 3.21 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.84 0.00 102 E 7.97 3.87 0.00 2.04 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 2.25 2.30 0.00 103 L 7.13 3.83 0.00 1.29 0.99 0.87 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 104 W 7.48 4.83 0.00 3.38 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 0.00 105 T 8.27 4.17 4.44 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 1.24 0.00 0.00 106 R 7.90 4.06 0.00 2.02 1.96 0.00 3.14 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 *108 R 7.90 4.25 0.00 2.04 2.18 0.00 3.37 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 109 N 8.67 4.33 0.00 2.89 2.88 0.00 0.00 6.99 7.50 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 0.00 110 A 8.11 3.99 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 0.00 111 V 7.69 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 1.02 0.00 0.00 0.95 0.00 0.00 112 R 8.30 3.88 0.00 1.98 2.10 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 113 D 8.38 4.36 0.00 2.91 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 0.00 114 V 7.67 3.58 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 1.02 0.00 0.00 1.02 0.00 0.00 115 L 7.93 3.98 0.00 1.91 1.69 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.17 4.50 0.00 2.65 2.72 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 0.00 117 Q 7.98 4.58 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 118 T 7.48 4.50 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 1.21 0.00 0.00 119 T 8.78 4.83 4.49 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 1.29 0.00 0.00 120 L 8.39 4.00 0.00 1.87 1.76 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 121 S 8.27 4.11 0.00 3.86 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 0.00 122 D 8.12 4.40 0.00 2.90 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 0.00 123 L 7.63 4.02 0.00 1.82 1.75 0.92 1.05 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 0.00 124 L 7.98 4.18 0.00 1.75 1.75 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 125 K 8.03 3.93 0.00 1.88 1.82 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.60 7.81 126 H 7.58 4.05 0.00 3.35 3.57 0.00 5.74 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 S 7.61 4.55 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.63 4.23 4.28 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 1.25 0.00 0.00 129 D 8.63 4.45 0.00 2.64 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 0.00 130 S 8.83 4.29 0.00 4.22 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 0.00 131 E 8.26 3.72 0.00 2.19 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 2.26 2.50 0.00 132 L 7.43 4.27 0.00 1.46 1.42 0.18 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 133 T 8.18 3.90 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 1.18 0.00 0.00 134 D 7.89 4.25 0.00 2.65 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 0.00 135 G 8.19 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 0.00 0.00 0.00 136 Y 7.79 4.47 0.00 2.87 2.82 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 0.00 *138 F 7.77 4.04 0.00 3.00 3.11 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 0.00 139 Y 8.12 4.57 0.00 2.96 2.83 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 0.00 140 I 8.40 4.12 1.95 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 1.37 0.66 0.99 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.