NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.7137 8.2714 118.2138 52.3640 38.9184 174.8070 12 G 3.4298 8.4464 104.1351 46.9786 0.0000 170.7213 13 V 3.6082 8.0190 120.3411 65.9204 32.0204 175.7219 14 H 4.1865 8.8236 118.1767 59.4642 29.7670 176.6100 15 D 4.3009 7.9702 120.4637 57.5142 40.4307 178.5723 16 F 4.0790 8.5096 121.0887 61.7580 39.2935 177.3768 17 I 3.8056 8.1216 119.0945 64.3466 36.9379 178.4812 18 L 4.0555 8.1124 120.0031 57.5352 41.4000 179.6453 19 V 3.5431 7.8109 118.2924 66.1360 31.4359 178.4279 20 R 3.8584 7.5670 117.1851 58.9421 29.9200 178.6329 21 A 4.0017 8.3702 121.3447 55.6541 18.4073 179.8962 22 T 3.9453 8.1454 107.8762 64.6417 68.9282 176.6127 23 A 3.9824 8.1723 123.6781 55.0775 18.3805 179.6146 24 I 3.6419 7.7617 118.1257 64.5793 37.1999 178.7135 25 V 3.7199 7.6288 118.4857 66.2859 31.3001 178.1152 26 L 4.1178 8.5487 118.9763 57.8819 41.4369 179.4777 27 T 3.9319 8.6114 116.1914 66.7742 68.3454 176.5478 28 L 4.1688 8.1324 120.7701 57.9160 41.6001 178.8537 29 Y 3.1614 8.2938 119.5463 60.4941 38.6240 178.2986 30 I 3.6027 8.1925 120.9569 64.4865 37.1689 178.2885 31 I 3.6913 7.8334 120.5561 64.5909 36.9920 177.6697 32 Y 4.2140 8.2905 120.3480 61.0913 38.6023 178.2627 33 M 3.8213 8.0599 119.6325 58.3299 32.1423 178.6678 34 V 3.7902 8.4567 118.8786 66.2580 31.4147 177.9701 35 G 3.7667 8.0445 104.0359 47.9140 0.0000 174.9868 36 F 3.9659 7.7141 122.5640 61.0149 39.1052 177.1829 37 F 3.7699 7.8863 115.7164 60.4095 38.8424 177.2071 38 A 4.2290 8.3939 118.8607 53.7406 18.3136 177.8117 39 T 4.4885 7.1984 104.3811 60.7170 70.1079 175.2377 40 S 3.8683 7.6775 117.6116 59.3222 64.0848 176.1343 41 G 3.6768 7.5219 108.5201 45.1281 0.0000 173.2878 42 E 3.7536 8.7900 123.1268 57.1080 29.6893 177.8532 43 L 4.3647 8.2184 128.3614 54.0513 40.8623 176.3332 44 T 4.4446 7.5725 113.9031 60.3877 71.8711 175.0255 45 Y 4.3471 8.5936 122.1782 60.9923 38.8539 177.7339 46 E 3.8152 8.3916 119.6769 59.6263 29.7511 179.1629 47 V 3.8151 7.8121 112.0219 63.7446 31.6753 178.4867 48 W 4.4878 8.3782 128.3132 60.7500 30.6220 177.9451 49 I 3.6579 8.2459 119.1814 63.7463 37.1153 177.7484 50 G 3.7430 8.0538 106.7769 48.1199 0.0000 175.3940 51 F 3.8854 8.0189 121.8286 60.3482 39.3677 176.4982 52 F 3.8065 7.5183 114.5051 58.1055 39.0792 177.3262 53 A 4.0754 7.8987 120.9088 53.5853 18.7155 178.1674 54 S 4.0057 7.0489 112.5582 58.1221 63.2089 174.7432 55 A 3.9482 8.8037 129.4702 55.2408 18.0552 179.2576 56 F 3.8184 8.2110 118.5218 61.9385 39.3998 177.4504 57 T 3.7919 7.6855 114.6536 66.2579 68.0946 176.8938 58 K 3.8217 7.9294 120.4013 59.4043 32.1246 179.4442 59 V 3.4068 7.6244 118.2021 65.9814 31.3951 177.6323 60 F 4.2028 7.7232 120.2391 61.7705 39.1189 177.1982 61 T 3.4426 8.0998 115.2398 66.5618 68.2206 176.7344 62 L 3.8397 7.8462 120.8913 57.4537 41.5757 179.2003 63 L 4.0153 8.3827 120.6134 58.1215 42.0272 178.9231 64 A 3.8525 7.9887 120.8307 55.0879 18.1743 179.5843 65 L 3.9549 7.8509 117.4460 57.9205 41.6518 179.7544 66 F 4.1064 8.4296 117.7689 60.7394 38.9088 177.9196 67 S 4.2446 8.4005 114.7461 61.6216 62.6205 176.6948 68 I 3.7770 8.3493 122.9007 64.3036 36.9921 178.0454 69 L 4.0256 8.0285 121.0269 58.3885 41.8984 179.0830 70 I 3.8462 7.9229 119.5217 64.6693 37.2382 177.7892 71 H 4.0752 8.8962 118.9659 59.5543 29.7887 177.2728 72 A 4.1806 8.8722 122.7182 54.4595 18.2208 179.3545 73 W 4.5048 8.2365 126.7481 61.0189 30.8912 178.1640 74 I 3.3907 7.8280 119.7860 64.2266 36.5821 178.7834 75 G 3.5505 7.9573 106.2114 48.1387 0.0000 175.8436 76 M 4.1476 8.5194 121.7447 57.6387 31.8953 178.7030 77 W 3.6648 7.8375 128.7534 60.1240 30.4389 178.2144 78 Q 3.6297 7.7047 117.0465 58.5604 28.5067 178.2530 79 V 3.4588 7.4755 119.0672 66.0898 31.5070 178.1837 80 L 3.9873 7.8242 118.8878 57.6722 41.2632 178.9036 81 T 3.7821 7.0338 107.0532 62.9243 68.8336 175.5604 82 D 4.3043 7.0785 121.1621 55.8487 41.5016 176.5947 83 Y 4.7788 7.4358 113.3373 57.5798 39.7162 175.8304 84 V 4.2778 7.7943 119.7758 60.7450 31.6933 174.9730 85 K 4.1023 8.4835 125.6091 58.2742 32.6960 177.3105 86 P 4.3307 0.0000 0.0000 62.0244 32.2859 176.6172 87 L 3.8874 8.6147 124.5309 58.3861 42.2150 178.9152 88 A 4.0105 7.9699 120.1069 55.0421 18.2559 179.1993 89 L 3.8947 7.8475 118.3801 58.1494 42.2438 178.9840 90 R 3.8819 7.9682 118.6370 59.5548 30.0049 178.4729 91 L 4.0948 8.3041 119.1320 58.1230 41.6140 179.5085 92 M 4.0811 8.1088 118.6171 58.4177 31.8925 178.7786 93 L 4.0811 8.3088 119.4342 57.9578 41.6991 179.6790 94 Q 4.3277 8.3888 118.1968 58.6805 28.5900 178.3629 95 L 3.8430 8.2607 121.7406 58.1264 42.0936 179.0387 96 V 3.5531 7.7815 118.0514 66.2025 31.3782 178.0244 97 I 3.6936 7.9275 119.3252 64.4116 36.9156 178.6744 98 V 3.3139 8.0360 119.4622 65.7624 31.2747 178.1543 99 V 3.4259 7.9651 118.1036 65.9419 31.2866 177.7579 100 A 3.7370 8.0458 120.6470 55.0986 18.2126 179.6616 101 L 3.5542 7.7639 117.4653 57.7053 41.6437 179.9191 102 V 3.4924 7.8407 118.4338 65.9583 31.4677 178.1940 103 V 3.6055 8.2903 118.3008 66.0891 31.2768 177.3777 104 Y 4.4711 8.2413 116.9401 61.4272 37.8418 179.0870 105 V 3.5546 7.7094 118.3441 66.0251 31.7018 178.1950 106 I 3.8237 8.0377 119.6923 64.5627 36.9702 177.6701 107 Y 4.3657 8.7328 121.0218 60.5875 38.4576 178.2631 108 G 3.6207 8.1845 106.6452 48.0678 0.0000 175.3655 109 F 3.9079 8.1719 120.6737 60.2824 38.7228 178.1110 110 V 3.6115 7.5805 116.4015 65.6802 31.4391 178.1295 111 V 3.5160 7.6118 118.1420 66.0785 31.4143 178.5697 112 V 3.6391 8.0154 114.8734 64.6100 31.1820 179.1227 *113 W 4.2471 8.1159 122.1604 61.0165 28.0855 179.8704 114 G 4.0797 7.4675 102.0181 45.2261 0.0000 173.9608 115 V 3.9338 7.5263 125.9817 62.8207 31.5527 175.1976 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 11 N 8.27 4.71 0.00 2.96 3.05 0.00 0.00 6.02 6.07 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 12 G 8.45 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 0.00 0.00 0.00 13 V 8.02 3.61 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 1.05 0.00 0.00 0.89 0.00 0.00 14 H 8.82 4.19 0.00 3.35 3.44 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 7.97 4.30 0.00 2.92 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 16 F 8.51 4.08 0.00 3.22 3.26 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 17 I 8.12 3.81 1.94 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.75 0.95 0.00 0.00 18 L 8.11 4.06 0.00 1.77 1.70 0.77 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.81 3.54 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 0.86 0.00 0.00 0.86 0.00 0.00 20 R 7.57 3.86 0.00 1.72 1.86 0.00 2.42 0.00 0.00 2.63 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.38 0.00 21 A 8.37 4.00 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 22 T 8.15 3.95 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 1.32 0.00 0.00 23 A 8.17 3.98 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 24 I 7.76 3.64 2.07 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 1.43 0.74 0.96 0.00 0.00 25 V 7.63 3.72 2.28 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 1.17 0.00 0.00 1.03 0.00 0.00 26 L 8.55 4.12 0.00 1.74 1.75 0.90 0.78 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 27 T 8.61 3.93 4.46 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 1.26 0.00 0.00 28 L 8.13 4.17 0.00 2.21 2.09 1.03 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.29 3.16 0.00 2.67 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 30 I 8.19 3.60 2.04 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 1.58 0.81 0.93 0.00 0.00 31 I 7.83 3.69 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.82 0.99 0.00 0.00 32 Y 8.29 4.21 0.00 3.25 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 33 M 8.06 3.82 0.00 2.15 1.94 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.67 0.00 34 V 8.46 3.79 2.17 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 0.95 0.00 0.00 0.99 0.00 0.00 35 G 8.04 3.77 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 0.00 0.00 0.00 36 F 7.71 3.97 0.00 2.19 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 0.00 0.00 0.00 37 F 7.89 3.77 0.00 3.16 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 0.00 38 A 8.39 4.23 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 39 T 7.20 4.49 4.15 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 1.19 0.00 0.00 40 S 7.68 3.87 0.00 3.40 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.52 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.79 3.75 0.00 1.96 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 2.32 2.29 0.00 43 L 8.22 4.36 0.00 1.57 1.57 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.57 4.44 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 1.26 0.00 0.00 45 Y 8.59 4.35 0.00 3.10 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 46 E 8.39 3.82 0.00 2.15 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 2.40 2.43 0.00 47 V 7.81 3.82 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 0.82 0.00 0.00 1.24 0.00 0.00 48 W 8.38 4.49 0.00 3.64 3.39 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 0.00 49 I 8.25 3.66 1.40 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.32 0.71 0.00 0.00 50 G 8.05 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 51 F 8.02 3.89 0.00 2.34 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.52 3.81 0.00 2.70 2.76 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 53 A 7.90 4.08 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 54 S 7.05 4.01 0.00 3.90 3.73 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 55 A 8.80 3.95 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.21 3.82 0.00 3.11 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 57 T 7.69 3.79 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 0.01 0.00 0.00 58 K 7.93 3.82 0.00 1.83 1.74 0.00 1.60 0.00 0.00 1.50 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.55 7.81 59 V 7.62 3.41 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 0.78 0.00 0.00 0.86 0.00 0.00 60 F 7.72 4.20 0.00 2.64 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 61 T 8.10 3.44 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 1.24 0.00 0.00 62 L 7.85 3.84 0.00 1.60 1.43 0.35 -0.57 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 63 L 8.38 4.02 0.00 1.73 1.96 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.99 3.85 0.51 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 65 L 7.85 3.95 0.00 1.75 1.65 0.90 0.91 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 66 F 8.43 4.11 0.00 3.27 3.12 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 67 S 8.40 4.24 0.00 4.05 3.97 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 68 I 8.35 3.78 2.08 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 1.46 0.76 1.07 0.00 0.00 69 L 8.03 4.03 0.00 1.79 1.96 0.89 1.00 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 70 I 7.92 3.85 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.62 0.98 0.00 0.00 71 H 8.90 4.08 0.00 3.31 3.41 0.00 5.78 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 72 A 8.87 4.18 1.52 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 73 W 8.24 4.50 0.00 3.53 3.38 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 74 I 7.83 3.39 1.92 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 1.29 0.85 0.83 0.00 0.00 75 G 7.96 3.55 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 0.00 0.00 0.00 76 M 8.52 4.15 0.00 2.09 2.30 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.94 0.00 77 W 7.84 3.66 0.00 1.78 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 78 Q 7.70 3.63 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.70 0.00 0.00 0.00 0.00 0.00 2.58 2.78 0.00 79 V 7.48 3.46 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 1.15 0.00 0.00 1.00 0.00 0.00 80 L 7.82 3.99 0.00 1.51 1.59 1.00 0.54 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 81 T 7.03 3.78 3.66 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 0.25 0.00 0.00 82 D 7.08 4.30 0.00 1.78 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 0.00 0.00 0.00 83 Y 7.44 4.78 0.00 2.91 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 84 V 7.79 4.28 2.16 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 0.84 0.00 0.00 0.97 0.00 0.00 85 K 8.48 4.10 0.00 1.78 1.84 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.40 7.81 86 P 0.00 4.33 0.00 2.16 1.99 0.00 3.61 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 2.11 2.14 0.00 87 L 8.61 3.89 0.00 1.76 1.68 0.95 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.97 4.01 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 89 L 7.85 3.89 0.00 1.78 1.68 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.97 3.88 0.00 2.16 2.05 0.00 2.96 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 1.64 1.65 0.00 91 L 8.30 4.09 0.00 1.75 1.76 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 92 M 8.11 4.08 0.00 2.07 2.32 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.88 0.00 93 L 8.31 4.08 0.00 1.89 1.78 0.95 1.24 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 94 Q 8.39 4.33 0.00 2.47 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 3.13 2.64 0.00 95 L 8.26 3.84 0.00 1.81 1.87 0.87 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.78 3.55 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 1.07 0.00 0.00 0.96 0.00 0.00 97 I 7.93 3.69 2.22 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.55 1.20 0.00 0.00 98 V 8.04 3.31 1.75 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 0.70 0.00 0.00 -0.24 0.00 0.00 99 V 7.97 3.43 2.18 0.00 0.00 0.00 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 0.92 0.00 0.00 100 A 8.05 3.74 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 0.00 101 L 7.76 3.55 0.00 1.74 1.70 1.16 0.80 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 0.00 102 V 7.84 3.49 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 0.93 0.00 0.00 0.85 0.00 0.00 103 V 8.29 3.61 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 0.93 0.00 0.00 104 Y 8.24 4.47 0.00 3.21 2.92 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 0.00 105 V 7.71 3.55 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 0.53 0.00 0.00 0.62 0.00 0.00 106 I 8.04 3.82 1.93 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 1.35 1.20 0.94 0.00 0.00 107 Y 8.73 4.37 0.00 3.10 3.10 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 0.00 108 G 8.18 3.62 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 0.00 0.00 0.00 109 F 8.17 3.91 0.00 3.35 3.12 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 0.00 110 V 7.58 3.61 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 0.79 0.00 0.00 1.02 0.00 0.00 111 V 7.61 3.52 1.91 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 0.76 0.00 0.00 0.21 0.00 0.00 112 V 8.02 3.64 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 0.68 0.00 0.00 0.81 0.00 0.00 *113 W 8.12 4.25 0.00 2.59 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 0.00 114 G 7.47 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 0.00 0.00 0.00 115 V 7.53 3.93 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 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.