NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.4309 8.3649 120.2999 52.6877 40.7210 175.0044 6 F 4.5928 8.4168 122.5413 56.8791 39.7331 171.1042 7 E 4.8795 9.4485 124.7369 54.6245 32.2844 174.0556 8 E 5.7738 8.6340 122.1164 53.4824 32.9719 174.6285 9 K 4.6476 8.5147 122.1058 54.8483 35.9783 174.0183 10 M 4.5579 8.5694 126.3840 54.8870 32.7234 175.2560 11 I 4.1838 9.3048 129.7201 62.8750 37.0988 175.8559 12 L 4.9163 7.5392 119.9301 54.4584 44.5941 174.0603 13 I 5.8159 8.5212 112.5489 58.4598 40.0603 174.5495 14 R 4.8136 8.7233 123.0672 54.3748 32.1180 176.7062 15 R 3.9926 8.8200 119.6077 56.3832 31.2856 178.1089 16 T 3.0337 7.7123 110.9708 64.6780 67.2753 169.0466 17 A 4.4075 7.8022 119.5519 53.7591 22.4936 175.2924 18 R 4.3056 6.9807 112.9063 56.4378 33.5175 173.6514 19 M 4.7053 8.2563 123.1679 54.3826 34.2772 174.8060 20 Q 4.3935 8.4158 120.3833 54.8461 32.6286 173.0075 21 A 3.8652 8.5803 125.6702 53.5411 18.9082 177.1983 22 G 4.3205 9.2267 117.2224 45.5426 0.0000 174.0026 23 G 4.0459 7.4986 107.9014 42.8984 0.0000 171.7546 24 R 4.5253 8.2835 117.8468 54.8358 30.6888 175.5888 25 R 4.0956 8.3772 124.1428 53.9447 32.4276 175.7281 26 F 5.0689 7.6064 117.3013 55.3454 41.3854 173.7367 27 R 4.8654 8.1703 117.0376 54.5173 33.2859 174.4436 28 F 5.0269 8.4852 115.8457 56.6296 43.2220 174.2526 29 G 4.4305 9.6111 111.0847 44.6723 0.0000 172.4905 30 A 5.3397 8.4419 124.5783 50.6722 23.2191 174.9263 31 L 5.5009 9.3721 123.8286 53.1326 44.3213 176.2061 32 V 4.9764 9.0630 122.4290 60.2594 35.3319 174.6511 33 V 4.9462 8.9785 115.8842 60.0369 35.0613 175.2597 34 V 4.9399 8.8354 115.9289 60.0096 35.9083 174.8361 35 G 4.2964 9.6009 111.6559 45.6847 0.0000 172.9941 36 D 5.1179 8.8268 118.6922 52.6547 40.8041 177.4383 37 R 4.2563 7.8579 117.1703 57.3523 27.5339 176.2697 38 Q 4.5172 10.2375 114.1453 55.7054 29.8724 176.3823 39 G 4.2689 8.6799 105.1884 45.3968 0.0000 172.9585 40 R 5.0537 7.9114 118.1029 54.1932 33.2474 175.0211 41 V 4.8205 8.3036 116.1196 60.3607 36.8863 173.7231 42 G 4.4436 9.3477 109.1507 44.3492 0.0000 171.3401 43 L 5.3332 8.4801 123.9052 53.2887 45.5461 175.2148 44 G 4.3767 8.8095 109.8889 45.1746 0.0000 171.7216 45 F 5.5235 9.0646 126.4970 56.4547 41.1824 174.4199 46 G 4.3409 8.8948 114.5512 44.1725 0.0000 171.6598 47 K 5.5825 8.5704 121.9390 54.1053 35.3984 175.1476 48 A 4.7063 8.4501 124.5225 49.9066 22.7362 174.6781 49 P 4.3885 0.0000 0.0000 65.1591 31.7288 176.8096 50 E 4.7942 7.8664 115.6611 53.4688 33.1666 175.9861 51 V 3.0926 6.9742 119.5588 66.3693 31.3524 176.2070 52 P 3.8998 0.0000 0.0000 66.0592 31.1213 177.8302 53 L 3.9340 8.1992 120.3325 58.4194 41.9183 179.3194 54 A 3.9651 7.7854 120.1221 55.5215 18.7236 179.1037 55 V 3.4118 8.7873 116.3006 66.4110 31.3169 177.6978 56 Q 3.9312 8.5034 118.2603 59.6029 29.2238 179.7281 57 K 4.0329 8.2392 119.7814 59.1123 32.0217 178.6983 58 A 4.3433 8.8329 121.9492 55.2963 18.5852 179.5031 59 G 3.6746 8.3657 103.6252 48.4123 0.0000 174.8458 60 Y 4.1823 7.6459 120.6270 60.9294 39.1834 177.4010 61 Y 4.1538 7.7483 116.8416 61.3737 38.0251 177.7957 62 A 4.1550 8.9035 123.1583 55.1284 18.2157 179.6355 63 R 4.2188 8.1096 115.7376 58.5373 30.6004 178.4099 64 R 4.1951 8.4632 116.2159 56.9549 30.5962 175.7267 65 N 4.7912 8.6617 117.0592 51.8400 39.2132 172.1669 66 M 5.0407 8.3680 124.7003 53.4186 35.2224 174.9226 67 V 4.3674 8.6063 123.4576 60.0354 34.9012 174.5414 68 E 4.7172 8.6895 125.5721 54.5102 28.4499 173.1971 69 V 3.5479 8.6869 122.5910 61.6503 32.1062 175.0079 70 P 4.6396 0.0000 0.0000 62.4273 28.5710 176.3718 71 L 4.2123 7.5369 120.3398 55.3815 43.1371 178.1228 72 Q 4.4934 8.1421 118.0462 55.1964 30.8201 174.4205 73 N 4.0540 8.0444 117.4810 54.2154 36.4398 174.6235 74 G 4.3345 8.2279 103.3994 46.3254 0.0000 171.7729 75 T 4.8577 7.2346 112.2906 59.9553 70.7165 173.3197 76 I 3.8718 8.1276 126.5559 60.9669 37.6503 174.7794 77 P 4.6265 0.0000 0.0000 61.5096 30.9989 175.7773 78 H 5.0742 6.3984 113.1839 54.4133 30.3453 173.1858 79 E 5.5877 8.4702 118.3382 54.3483 31.5958 175.0048 80 I 4.8111 8.0932 113.8421 59.4972 42.2034 173.6521 81 E 4.8924 8.5899 122.7050 55.3407 31.7885 173.9354 82 V 3.9949 8.6039 127.7462 61.9394 33.5800 174.7631 83 E 4.2125 9.2761 126.3177 53.5605 29.7898 176.0514 84 F 3.3389 9.3526 128.4339 59.7611 38.3753 176.8102 85 G 3.5238 7.7756 115.3021 44.6563 0.0000 171.8348 86 A 4.5028 8.3255 124.5576 52.2964 19.7904 177.9491 87 S 5.1193 7.4716 111.6785 57.9353 64.6026 174.0212 88 K 4.8080 8.4605 122.8447 55.4652 35.9431 174.4574 89 I 4.9155 8.7725 127.0883 59.1539 41.8049 173.9945 90 V 4.9739 8.2019 125.1579 61.0713 35.0282 174.0276 91 L 5.1363 8.9211 126.9859 52.7544 45.0630 175.2777 92 K 4.8817 9.2263 125.0655 53.4893 35.0545 173.4725 93 P 4.6063 0.0000 0.0000 63.4558 31.4967 175.4341 94 A 4.9041 8.3810 123.5669 49.9293 22.0419 175.7541 95 A 4.3009 8.5039 122.4339 50.3856 19.8255 175.2298 96 P 4.1469 0.0000 0.0000 64.3083 32.0619 175.9379 97 G 4.3804 8.7467 117.0193 47.1248 0.0000 176.0119 98 T 3.7819 7.2382 116.3663 65.8540 68.7661 174.6225 99 G 3.7033 8.6671 107.9463 43.2458 0.0000 172.0435 100 V 4.3149 7.9125 118.8933 61.7827 31.4927 175.9862 101 I 4.3280 8.3858 128.4007 59.9552 37.2775 174.3833 102 A 5.0333 7.4424 125.8773 51.4955 22.0492 175.9712 103 G 3.7007 8.5183 108.1594 45.0775 0.0000 174.5663 104 A 3.9815 8.6361 121.4711 55.1171 17.9149 180.2023 105 V 3.6442 7.6311 116.0577 65.2583 31.9062 175.8673 106 P 4.2113 0.0000 0.0000 65.6478 30.9089 177.6621 107 R 3.7089 8.5569 116.1207 59.7482 29.3898 177.9773 108 A 4.0440 8.0713 119.2966 55.6158 18.5726 179.8605 109 I 3.7116 7.5992 118.0130 64.4085 37.0424 178.7273 110 L 4.0478 8.0358 119.9850 57.4516 41.4309 179.3250 111 E 3.9364 9.2646 119.5514 59.5759 29.1711 179.4345 112 L 4.1121 7.7094 117.7044 57.0126 41.8107 179.0150 113 A 3.9168 7.6069 121.9864 53.7387 18.4277 178.2991 114 G 3.9131 8.0231 103.5280 46.1160 0.0000 173.3076 115 V 4.2871 7.2759 118.4506 61.1372 33.2920 174.8892 116 T 4.4247 8.3129 120.3660 63.0683 69.6530 173.6509 117 D 5.4880 8.6987 120.7771 51.7207 44.1420 175.3744 118 I 4.7401 8.2002 122.3902 60.3090 42.4695 173.3375 119 L 4.7751 8.9423 123.3766 54.3779 44.7200 175.2962 120 T 5.2977 8.4360 108.3239 57.3067 70.6860 170.6748 121 K 4.2741 8.6714 123.7300 55.4948 33.8537 174.5105 122 E 4.7999 8.6036 125.0990 54.6756 31.1166 175.2404 123 L 4.7206 9.3047 123.6968 54.0358 45.1569 176.3952 124 G 4.0058 8.7518 109.3810 44.2842 0.0000 173.3312 125 S 4.0654 8.8886 117.5089 59.2962 62.9920 175.0374 126 R 4.4271 8.4568 123.5560 55.6912 30.0852 175.3714 127 N 4.2466 8.2808 119.0122 53.5705 37.7699 173.8409 128 P 3.9811 0.0000 0.0000 65.5020 31.7828 177.8018 129 I 3.2134 7.3821 119.9105 63.4052 37.1648 177.8422 130 N 4.6301 8.8085 117.3936 56.4118 38.4759 177.4158 131 I 3.6678 7.8114 120.4726 65.0071 37.2351 177.3294 132 A 3.8211 8.6940 121.5637 56.1162 17.9194 178.8716 133 Y 4.1446 7.8559 112.9920 60.9974 37.9909 179.3285 134 A 3.8984 8.3978 121.5855 55.5081 18.5453 179.3575 135 T 3.7667 8.4023 114.4344 67.3666 68.5383 176.0726 136 M 4.0141 8.0060 119.9462 58.6514 31.8501 178.1519 137 E 3.8070 8.0260 117.8744 60.0683 29.9359 178.2497 138 A 3.9364 8.4529 120.0439 55.7002 18.1848 179.1298 139 L 3.8892 8.1498 114.6905 58.1231 41.8195 179.9846 140 R 3.4255 7.9829 118.9378 58.9980 30.2140 177.1377 141 Q 4.3708 8.4015 117.4602 55.4259 30.0118 175.4277 142 L 4.1612 8.0075 120.4546 55.8076 42.2488 176.5170 143 R 4.7927 8.2649 119.2064 54.2343 34.4035 174.9854 144 T 4.7763 9.0132 115.5265 60.7968 73.5042 175.5863 145 K 3.9831 8.5805 122.2427 60.2271 32.1759 178.1328 146 A 3.7871 8.5535 116.8222 55.8556 17.7905 178.6851 147 D 4.3662 8.4980 115.6639 56.6652 41.5648 179.1525 148 V 3.5954 8.5582 119.4636 66.0724 31.4640 177.9556 149 E 3.8970 8.8036 117.5124 59.5551 29.3080 178.8316 150 R 3.8784 8.2015 119.1504 58.7872 30.0174 177.8869 151 L 4.1543 7.8893 119.7341 57.7702 42.4279 178.1215 152 R 4.2000 8.3199 115.9256 55.6373 30.3666 177.2398 153 K 3.8626 8.6404 118.8894 56.9466 30.7082 179.9118 154 G 3.7948 9.1429 112.8690 46.3995 0.0000 174.3107 *155 E 4.1319 8.4020 113.2143 56.0380 30.4399 174.1092 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 D 8.36 4.43 0.00 2.77 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 6 F 8.42 4.59 0.00 3.05 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 7 E 9.45 4.88 0.00 2.04 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 2.25 2.26 0.00 8 E 8.63 5.77 0.00 2.07 1.89 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 2.20 2.14 0.00 9 K 8.51 4.65 0.00 1.81 1.64 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.40 7.81 10 M 8.57 4.56 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.58 0.00 11 I 9.30 4.18 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 1.38 0.88 0.87 0.00 0.00 12 L 7.54 4.92 0.00 1.64 1.70 0.89 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.52 5.82 1.94 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 1.06 1.18 0.97 0.00 0.00 14 R 8.72 4.81 0.00 1.89 2.13 0.00 3.33 0.00 0.00 3.51 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 15 R 8.82 3.99 0.00 1.74 1.78 0.00 2.64 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.27 0.00 16 T 7.71 3.03 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 1.17 0.00 0.00 17 A 7.80 4.41 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 18 R 6.98 4.31 0.00 1.88 2.00 0.00 3.05 0.00 0.00 3.07 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.39 0.00 19 M 8.26 4.71 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 20 Q 8.42 4.39 0.00 1.92 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.55 0.00 0.00 0.00 0.00 0.00 2.15 2.33 0.00 21 A 8.58 3.87 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 22 G 9.23 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 0.00 0.00 0.00 0.00 23 G 7.50 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 24 R 8.28 4.53 0.00 1.73 1.92 0.00 3.08 0.00 0.00 3.31 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.46 0.00 25 R 8.38 4.10 0.00 1.63 1.67 0.00 2.98 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.40 0.00 26 F 7.61 5.07 0.00 2.74 2.94 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 27 R 8.17 4.87 0.00 1.75 1.88 0.00 3.16 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 28 F 8.49 5.03 0.00 3.26 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 29 G 9.61 4.43 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 0.00 0.00 0.00 30 A 8.44 5.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 9.37 5.50 0.00 1.62 1.59 0.61 0.59 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 32 V 9.06 4.98 2.15 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 0.84 0.00 0.00 1.02 0.00 0.00 33 V 8.98 4.95 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 0.77 0.00 0.00 1.00 0.00 0.00 34 V 8.84 4.94 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 0.76 0.00 0.00 0.90 0.00 0.00 35 G 9.60 4.30 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 0.00 36 D 8.83 5.12 0.00 2.91 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 37 R 7.86 4.26 0.00 2.05 2.18 0.00 3.13 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 1.66 1.59 0.00 38 Q 10.24 4.52 0.00 2.36 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.97 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 39 G 8.68 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 40 R 7.91 5.05 0.00 2.09 1.73 0.00 3.24 0.00 0.00 3.79 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.65 0.00 41 V 8.30 4.82 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 0.59 0.00 0.00 0.88 0.00 0.00 42 G 9.35 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 0.00 0.00 0.00 0.00 43 L 8.48 5.33 0.00 1.73 1.57 0.99 1.10 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 44 G 8.81 4.38 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 0.00 45 F 9.06 5.52 0.00 2.92 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 46 G 8.89 4.34 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 0.00 47 K 8.57 5.58 0.00 1.58 1.47 0.00 1.06 0.00 0.00 2.26 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.66 1.01 7.81 48 A 8.45 4.71 1.28 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 0.00 0.00 49 P 0.00 4.39 0.00 2.13 2.23 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 50 E 7.87 4.79 0.00 1.95 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 2.35 2.21 0.00 51 V 6.97 3.09 1.81 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 0.82 0.00 0.00 0.11 0.00 0.00 52 P 0.00 3.90 0.00 2.15 1.91 0.00 3.55 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 53 L 8.20 3.93 0.00 1.71 1.79 0.95 0.91 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 54 A 7.79 3.97 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 55 V 8.79 3.41 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 1.00 0.00 0.00 0.94 0.00 0.00 56 Q 8.50 3.93 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 57 K 8.24 4.03 0.00 2.17 2.05 0.00 1.83 0.00 0.00 1.88 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.76 1.49 7.81 58 A 8.83 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.37 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 60 Y 7.65 4.18 0.00 2.78 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 61 Y 7.75 4.15 0.00 3.25 2.96 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 62 A 8.90 4.15 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 63 R 8.11 4.22 0.00 2.00 2.23 0.00 3.28 0.00 0.00 3.48 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.03 0.00 64 R 8.46 4.20 0.00 2.02 2.06 0.00 3.41 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.65 0.00 65 N 8.66 4.79 0.00 2.74 2.88 0.00 0.00 6.45 7.69 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 66 M 8.37 5.04 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 67 V 8.61 4.37 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 0.82 0.00 0.00 0.92 0.00 0.00 68 E 8.69 4.72 0.00 1.98 1.92 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 2.23 2.36 0.00 69 V 8.69 3.55 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 0.77 0.00 0.00 0.90 0.00 0.00 70 P 0.00 4.64 0.00 2.06 2.00 0.00 3.72 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 71 L 7.54 4.21 0.00 1.63 1.60 1.05 0.94 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 72 Q 8.14 4.49 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.23 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 73 N 8.04 4.05 0.00 2.92 2.95 0.00 0.00 6.95 8.60 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 74 G 8.23 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 0.00 0.00 0.00 0.00 75 T 7.23 4.86 4.30 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 1.29 0.00 0.00 76 I 8.13 3.87 1.93 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 1.06 0.88 0.00 0.00 77 P 0.00 4.63 0.00 2.29 2.11 0.00 3.72 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.90 0.00 78 H 6.40 5.07 0.00 3.28 3.58 0.00 5.73 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.47 5.59 0.00 1.99 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 2.21 2.21 0.00 80 I 8.09 4.81 1.90 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 1.24 0.59 0.99 0.00 0.00 81 E 8.59 4.89 0.00 1.96 1.85 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 2.20 2.32 0.00 82 V 8.60 3.99 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 1.01 0.00 0.00 0.94 0.00 0.00 83 E 9.28 4.21 0.00 2.04 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 2.31 2.25 0.00 84 F 9.35 3.34 0.00 3.11 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 85 G 7.78 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.33 4.50 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 87 S 7.47 5.12 0.00 4.18 3.86 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 88 K 8.46 4.81 0.00 1.74 1.80 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.41 7.81 89 I 8.77 4.92 1.88 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 1.11 1.20 1.01 0.00 0.00 90 V 8.20 4.97 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 1.08 0.00 0.00 0.97 0.00 0.00 91 L 8.92 5.14 0.00 1.59 1.50 0.91 0.35 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 92 K 9.23 4.88 0.00 1.73 1.68 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.35 7.81 93 P 0.00 4.61 0.00 2.11 2.22 0.00 3.77 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 94 A 8.38 4.90 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 95 A 8.50 4.30 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 96 P 0.00 4.15 0.00 2.05 2.04 0.00 3.67 0.00 0.00 3.66 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 97 G 8.75 4.38 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 0.00 98 T 7.24 3.78 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 1.21 0.00 0.00 99 G 8.67 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 0.00 0.00 0.00 100 V 7.91 4.31 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 0.82 0.00 0.00 0.98 0.00 0.00 101 I 8.39 4.33 2.06 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 1.16 1.31 0.91 0.00 0.00 102 A 7.44 5.03 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 0.00 0.00 0.00 0.00 0.00 0.00 103 G 8.52 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 0.00 0.00 0.00 104 A 8.64 3.98 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 0.00 105 V 7.63 3.64 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 1.02 0.00 0.00 0.88 0.00 0.00 106 P 0.00 4.21 0.00 2.17 2.10 0.00 4.07 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 2.17 2.01 0.00 107 R 8.56 3.71 0.00 1.83 2.02 0.00 3.12 0.00 0.00 3.28 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 108 A 8.07 4.04 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 0.00 109 I 7.60 3.71 2.01 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.88 0.00 0.00 110 L 8.04 4.05 0.00 1.86 1.69 0.91 0.77 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 0.00 111 E 9.26 3.94 0.00 1.95 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 2.33 2.35 0.00 112 L 7.71 4.11 0.00 1.67 1.69 0.97 0.76 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 0.00 113 A 7.61 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 0.00 114 G 8.02 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 0.00 115 V 7.28 4.29 2.29 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 0.87 0.00 0.00 0.92 0.00 0.00 116 T 8.31 4.42 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 1.27 0.00 0.00 117 D 8.70 5.49 0.00 2.50 2.51 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 0.00 118 I 8.20 4.74 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 1.33 0.40 0.98 0.00 0.00 119 L 8.94 4.78 0.00 1.65 1.51 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.44 5.30 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 1.27 0.00 0.00 121 K 8.67 4.27 0.00 2.04 1.91 0.00 1.58 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.50 7.81 122 E 8.60 4.80 0.00 1.98 1.85 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 2.23 2.30 0.00 123 L 9.30 4.72 0.00 1.61 1.53 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.75 4.01 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 0.00 0.00 0.00 125 S 8.89 4.07 0.00 3.95 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 0.00 126 R 8.46 4.43 0.00 1.80 1.96 0.00 3.22 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 127 N 8.28 4.25 0.00 2.72 2.75 0.00 0.00 6.84 7.71 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 0.00 128 P 0.00 3.98 0.00 2.19 2.16 0.00 3.74 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 129 I 7.38 3.21 1.76 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.27 0.32 0.00 0.00 130 N 8.81 4.63 0.00 2.90 3.04 0.00 0.00 7.08 7.97 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 0.00 131 I 7.81 3.67 1.84 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 1.99 0.68 0.92 0.00 0.00 132 A 8.69 3.82 1.09 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 0.00 133 Y 7.86 4.14 0.00 2.31 1.51 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 0.00 134 A 8.40 3.90 1.43 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 0.00 0.00 135 T 8.40 3.77 4.38 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 1.18 0.00 0.00 136 M 8.01 4.01 0.00 1.98 2.24 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 2.65 2.70 0.00 137 E 8.03 3.81 0.00 2.08 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 0.00 2.26 2.53 0.00 138 A 8.45 3.94 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 0.00 139 L 8.15 3.89 0.00 1.84 1.71 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 140 R 7.98 3.43 0.00 1.76 2.18 0.00 3.40 0.00 0.00 3.13 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 141 Q 8.40 4.37 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.61 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 142 L 8.01 4.16 0.00 1.60 1.54 0.88 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.26 4.79 0.00 1.77 1.78 0.00 3.32 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.59 0.00 144 T 9.01 4.78 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 0.00 145 K 8.58 3.98 0.00 1.80 1.90 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.57 7.81 146 A 8.55 3.79 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 0.00 147 D 8.50 4.37 0.00 2.78 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.56 3.60 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 1.05 0.00 0.00 0.97 0.00 0.00 149 E 8.80 3.90 0.00 2.19 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 0.00 2.64 2.31 0.00 150 R 8.20 3.88 0.00 1.87 2.19 0.00 3.26 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 151 L 7.89 4.15 0.00 1.84 1.85 0.92 0.99 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 0.00 152 R 8.32 4.20 0.00 2.01 1.92 0.00 3.32 0.00 0.00 3.22 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 153 K 8.64 3.86 0.00 1.92 1.57 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.56 7.81 154 G 9.14 3.79 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 0.00 0.00 0.00 *155 E 8.40 4.13 0.00 1.75 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.