NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4378 8.3349 115.4130 57.8460 64.6444 173.8270 2 K 4.1213 8.0921 119.5750 57.2248 32.8040 175.3866 3 T 4.2928 8.4035 117.2328 64.9051 71.3813 175.1284 4 N 4.4043 7.9519 120.3121 52.9985 39.7086 173.6754 5 P 4.2938 0.0000 0.0000 65.4145 31.4264 179.0439 6 R 3.8741 8.7280 117.6516 59.2019 30.0805 178.6508 7 L 3.9521 8.0889 119.6441 58.0696 42.1174 178.7092 8 S 4.0573 8.1796 113.0169 61.6360 62.2978 176.4173 9 S 4.1000 8.2110 117.8524 61.3474 62.5411 176.2709 10 L 3.8716 8.2503 123.4574 58.3016 41.9090 179.0171 11 I 3.6510 7.7500 119.2858 64.5435 37.0602 178.3050 12 A 4.0320 7.9145 121.2216 55.2408 18.1374 179.4765 13 D 4.2648 8.4140 117.8006 57.4125 41.0076 178.8773 14 L 3.8979 8.3406 119.9768 57.5449 41.5481 179.8667 15 K 3.9849 7.9815 118.1077 59.6967 32.2648 179.1893 16 S 4.0900 8.2310 113.1571 61.5089 61.9527 176.1356 17 A 4.1351 7.9535 122.6385 54.7765 18.2070 179.3918 18 A 4.2377 7.8557 117.8476 54.8619 18.4689 179.8729 19 R 4.1042 7.9447 116.3813 60.0392 30.5017 178.6151 20 S 4.1851 7.8992 113.8142 61.0667 63.3599 176.0488 21 S 4.4257 8.0494 116.7482 58.3839 63.5956 175.3546 22 G 3.8420 8.5534 108.4433 45.8527 0.0000 174.3858 23 G 3.8565 7.3724 107.9963 45.3797 0.0000 173.5265 24 A 4.5626 8.0281 121.1956 51.8892 21.5564 179.1801 25 V 3.4458 7.4764 109.0940 64.2915 31.4888 178.2350 26 W 5.0349 7.6619 118.3596 60.2730 28.9049 178.6823 27 G 3.6396 8.2135 104.8805 47.7326 0.0000 175.0748 28 D 4.3288 8.1159 120.4419 57.2517 41.3300 178.6057 29 V 3.6666 8.7710 119.1382 65.7737 31.6295 177.8923 30 A 4.0228 8.2866 120.9470 55.2481 18.0188 179.5228 31 E 4.1473 8.0592 116.1654 59.4508 29.6687 179.2384 32 R 4.0593 7.9477 118.4031 59.1069 29.9026 178.4364 33 L 3.7929 7.6735 118.0230 57.2641 41.6836 178.8154 34 E 4.1653 7.8113 117.4895 57.9385 29.5809 177.6392 35 K 4.2923 7.0107 117.4970 54.8345 33.0289 174.8484 36 P 4.2054 0.0000 0.0000 63.1709 31.9571 177.7038 37 R 3.4737 8.7921 121.2325 59.3561 30.1401 179.0819 38 R 3.9750 7.9000 112.9811 58.6721 29.5240 177.3479 39 T 4.2623 7.8640 107.5026 62.3833 69.5029 174.9198 40 H 4.3758 7.8183 119.4791 55.6094 29.5392 174.8323 41 A 4.2346 8.2445 123.1841 52.3219 19.6274 176.9976 42 E 4.9577 8.6496 119.7727 54.6714 31.5945 174.0749 43 V 4.3986 8.6511 124.2930 61.0646 34.0808 174.7373 44 N 5.5851 8.4529 124.1087 51.3537 40.5927 176.1160 45 L 4.1140 8.5302 119.9848 57.9771 41.3102 180.1630 46 G 3.6240 8.0926 104.6412 47.7089 0.0000 175.1603 47 R 4.0888 7.8328 120.8780 59.1585 30.1970 178.5139 48 I 3.7901 7.7304 119.2070 64.4524 36.9377 177.8630 49 E 3.9540 8.2425 119.3640 59.0946 29.4872 178.4423 50 R 3.9065 7.4854 117.4994 57.9454 30.1692 176.2749 51 Y 4.7417 7.5993 112.1817 57.3450 39.3662 175.0301 52 A 4.6771 7.8588 123.6705 51.0336 20.5871 176.6943 53 Q 4.6246 8.0397 115.6848 54.2337 31.6111 174.5589 54 E 3.9511 8.6272 119.6122 58.1331 30.0020 176.8837 55 D 4.4482 8.8647 119.5576 54.6569 38.4518 173.1597 56 E 4.7485 7.7553 120.2947 54.3666 31.8358 175.6943 57 T 4.2735 8.5938 125.3374 63.6199 69.7973 174.0799 58 V 4.2902 8.8177 127.6673 62.5635 33.1831 174.7520 59 V 4.7823 9.0705 128.4096 61.3021 33.6968 174.4062 60 V 4.8489 8.9638 129.9259 59.1736 32.8396 174.8736 61 P 4.6327 0.0000 0.0000 60.4441 29.9217 175.0340 62 G 4.2043 7.0227 117.0448 47.5506 0.0000 175.1236 63 K 4.9485 9.3483 127.0456 54.1960 35.9514 173.8398 64 V 4.7706 8.1970 125.9514 61.4985 33.3869 174.6486 65 L 4.9680 9.6545 128.4928 52.6728 44.5511 176.6844 66 G 3.8672 8.5225 107.8083 46.9847 0.0000 173.6932 67 S 4.5106 8.2708 116.9814 58.7740 64.5410 175.3282 68 G 4.2126 8.9993 109.7885 44.7470 0.0000 172.2283 69 V 4.3686 7.9164 116.9704 60.6176 33.8521 174.3660 70 L 4.8700 8.4968 127.8914 53.4461 44.0806 175.3452 71 Q 4.4902 10.1365 125.3768 56.9461 31.0073 176.7863 72 K 3.9060 8.2854 115.3611 57.3603 32.7669 176.7259 73 D 5.4486 8.4887 122.7126 52.4374 39.8104 175.1662 74 V 4.4816 7.6998 115.7499 59.5054 35.9662 174.5003 75 T 4.9368 8.3197 118.3381 62.1336 70.6466 173.7268 76 V 4.9345 8.8535 126.7898 61.0285 34.2201 174.0354 77 A 5.9400 9.8128 129.1484 49.5037 21.5900 174.9684 78 A 5.0477 8.3166 122.6239 49.2387 22.9634 176.8057 79 V 3.5506 8.4416 118.9308 66.2399 32.0792 175.6329 80 D 4.6255 7.1417 116.4594 53.5734 44.3974 174.4149 81 F 5.4572 8.8987 120.5621 55.3323 42.9902 175.0828 82 S 4.3629 8.9686 117.0735 58.0152 63.6225 175.5746 83 G 3.6597 8.8031 106.8531 48.2784 0.0000 176.1290 84 T 3.9551 7.8983 117.3387 66.1420 68.5036 176.4776 85 A 4.0137 7.9341 122.4024 55.4342 18.4869 179.3603 86 E 3.6390 8.1976 117.1810 59.4392 29.3112 179.3463 87 T 3.8956 7.2590 114.5213 66.4541 68.7451 176.7330 88 K 4.4332 8.1617 121.9318 58.9943 32.0603 179.5957 89 I 3.7670 8.0302 120.3360 64.4055 36.8929 177.8756 90 D 4.8516 7.5531 118.3242 55.6951 40.6118 178.1235 91 Q 4.1921 7.9019 119.4424 57.6912 28.8554 177.4864 92 V 4.5091 7.7233 110.2875 61.0247 34.5176 174.4710 93 G 4.1090 8.3311 111.4676 44.6206 0.0000 174.0419 94 E 5.1260 9.6024 126.5044 54.4863 33.2292 173.0224 95 A 4.6519 9.2671 129.6597 50.6708 20.1764 176.5383 96 V 4.6068 9.2795 122.7232 60.8280 35.4515 175.2420 97 S 4.8765 8.6337 120.6311 57.6219 64.2332 175.0168 98 L 3.8903 8.2306 124.0020 58.2836 41.2697 179.4494 99 E 3.8934 8.0395 118.2636 59.1153 29.3365 178.9745 100 Q 3.8197 7.8760 117.5988 58.4654 28.8781 177.9953 101 A 4.0259 8.0151 121.8755 55.6121 18.2499 179.6697 102 I 3.0735 6.9932 116.3778 64.1211 37.0465 177.8493 103 E 4.1541 7.2336 118.8864 58.8781 29.8568 177.6617 104 N 4.6943 8.3003 113.8654 54.0436 40.3703 175.4382 105 N 5.0062 7.9699 117.1455 52.4674 40.9243 172.9550 106 P 4.7334 0.0000 0.0000 64.7991 32.2354 178.1124 107 E 4.1244 8.5706 118.1327 56.4151 30.4844 175.7820 108 G 3.6061 8.0359 107.7004 46.3504 0.0000 172.9404 109 S 4.5803 8.0881 110.7505 57.5424 66.4714 174.2372 110 H 3.9960 8.3715 116.4656 57.4798 25.9291 174.4711 111 V 4.9497 7.3210 116.1409 59.8258 34.9537 176.4706 112 R 4.5077 8.9054 122.8109 54.5169 32.8835 174.2531 113 V 4.4515 8.4516 127.0127 62.6963 32.4800 175.1056 114 I 4.7876 8.7755 128.2280 59.3847 40.9593 175.9710 115 R 4.1815 8.4445 121.9084 56.3922 29.5285 174.8617 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 1 S 8.33 4.44 0.00 3.99 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 2 K 8.09 4.12 0.00 1.85 1.78 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 T 8.40 4.29 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 4 N 7.95 4.40 0.00 2.75 2.71 0.00 0.00 7.23 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 5 P 0.00 4.29 0.00 2.19 2.08 0.00 3.65 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 2.11 2.17 0.00 6 R 8.73 3.87 0.00 1.89 1.96 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 7 L 8.09 3.95 0.00 1.75 1.82 0.93 0.87 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 8 S 8.18 4.06 0.00 4.06 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 9 S 8.21 4.10 0.00 4.02 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 10 L 8.25 3.87 0.00 1.68 1.82 0.87 0.92 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 11 I 7.75 3.65 2.05 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 1.45 1.10 0.91 0.00 0.00 12 A 7.91 4.03 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 13 D 8.41 4.26 0.00 2.75 2.63 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 14 L 8.34 3.90 0.00 1.84 1.95 0.91 0.45 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 15 K 7.98 3.98 0.00 2.04 1.87 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.63 7.81 16 S 8.23 4.09 0.00 4.00 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 17 A 7.95 4.14 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 18 A 7.86 4.24 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 19 R 7.94 4.10 0.00 1.83 2.01 0.00 3.20 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 20 S 7.90 4.19 0.00 3.97 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 21 S 8.05 4.43 0.00 4.25 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 22 G 8.55 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 23 G 7.37 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 0.00 0.00 0.00 24 A 8.03 4.56 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.48 3.45 1.60 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 0.62 0.00 0.00 -0.39 0.00 0.00 26 W 7.66 5.03 0.00 3.35 3.24 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 27 G 8.21 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 0.00 0.00 0.00 28 D 8.12 4.33 0.00 3.05 2.73 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 29 V 8.77 3.67 2.44 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 1.02 0.00 0.00 1.16 0.00 0.00 30 A 8.29 4.02 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 31 E 8.06 4.15 0.00 2.12 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 2.36 2.45 0.00 32 R 7.95 4.06 0.00 1.94 2.04 0.00 3.31 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 33 L 7.67 3.79 0.00 1.67 1.68 0.89 0.79 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 34 E 7.81 4.17 0.00 2.16 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 2.36 2.52 0.00 35 K 7.01 4.29 0.00 1.96 1.78 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.60 7.81 36 P 0.00 4.21 0.00 2.16 1.99 0.00 3.64 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 2.12 2.14 0.00 37 R 8.79 3.47 0.00 1.79 1.92 0.00 3.10 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 38 R 7.90 3.98 0.00 1.90 2.05 0.00 3.01 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 39 T 7.86 4.26 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 1.22 0.00 0.00 40 H 7.82 4.38 0.00 3.26 3.26 0.00 5.67 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 41 A 8.24 4.23 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 42 E 8.65 4.96 0.00 1.80 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 2.29 0.00 43 V 8.65 4.40 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 1.01 0.00 0.00 0.94 0.00 0.00 44 N 8.45 5.59 0.00 2.70 2.97 0.00 0.00 7.62 6.74 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 45 L 8.53 4.11 0.00 1.85 1.74 0.95 1.03 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 46 G 8.09 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 47 R 7.83 4.09 0.00 1.90 1.99 0.00 3.23 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.90 0.00 48 I 7.73 3.79 2.03 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 1.58 0.45 0.96 0.00 0.00 49 E 8.24 3.95 0.00 1.92 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 0.00 2.43 2.30 0.00 50 R 7.49 3.91 0.00 1.68 1.36 0.00 2.36 0.00 0.00 2.91 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 1.28 0.00 51 Y 7.60 4.74 0.00 2.98 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 52 A 7.86 4.68 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 Q 8.04 4.62 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.98 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 54 E 8.63 3.95 0.00 1.99 1.94 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 2.51 2.35 0.00 55 D 8.86 4.45 0.00 2.84 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 56 E 7.76 4.75 0.00 1.92 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 2.22 2.37 0.00 57 T 8.59 4.27 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 1.36 0.00 0.00 58 V 8.82 4.29 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 0.95 0.00 0.00 0.99 0.00 0.00 59 V 9.07 4.78 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 1.07 0.00 0.00 1.12 0.00 0.00 60 V 8.96 4.85 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 1.04 0.00 0.00 0.93 0.00 0.00 61 P 0.00 4.63 0.00 2.13 2.23 0.00 3.95 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 62 G 7.02 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 63 K 9.35 4.95 0.00 1.69 1.56 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.37 7.81 64 V 8.20 4.77 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 1.07 0.00 0.00 0.77 0.00 0.00 65 L 9.65 4.97 0.00 1.64 1.55 0.93 0.73 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 66 G 8.52 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 67 S 8.27 4.51 0.00 3.93 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 68 G 9.00 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.92 4.37 2.07 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 0.84 0.00 0.00 0.93 0.00 0.00 70 L 8.50 4.87 0.00 1.60 1.52 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 10.14 4.49 0.00 1.90 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.55 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 72 K 8.29 3.91 0.00 1.75 1.78 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.45 1.81 7.81 73 D 8.49 5.45 0.00 2.85 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 74 V 7.70 4.48 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 0.76 0.00 0.00 0.97 0.00 0.00 75 T 8.32 4.94 4.29 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 1.27 0.00 0.00 76 V 8.85 4.93 2.32 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 1.14 0.00 0.00 1.03 0.00 0.00 77 A 9.81 5.94 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 78 A 8.32 5.05 0.52 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 79 V 8.44 3.55 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 0.70 0.00 0.00 0.88 0.00 0.00 80 D 7.14 4.63 0.00 2.78 2.38 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 81 F 8.90 5.46 0.00 2.84 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 82 S 8.97 4.36 0.00 3.95 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 83 G 8.80 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 0.00 0.00 0.00 0.00 84 T 7.90 3.96 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 1.23 0.00 0.00 85 A 7.93 4.01 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 86 E 8.20 3.64 0.00 1.94 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 0.00 2.16 2.00 0.00 87 T 7.26 3.90 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 88 K 8.16 4.43 0.00 1.93 1.86 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.55 7.81 89 I 8.03 3.77 1.88 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.76 0.89 0.00 0.00 90 D 7.55 4.85 0.00 2.64 2.67 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 91 Q 7.90 4.19 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.72 0.00 92 V 7.72 4.51 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 0.77 0.00 0.00 1.01 0.00 0.00 93 G 8.33 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 0.00 0.00 0.00 94 E 9.60 5.13 0.00 2.02 1.74 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 2.17 2.23 0.00 95 A 9.27 4.65 0.56 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 0.00 0.00 96 V 9.28 4.61 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 1.04 0.00 0.00 0.94 0.00 0.00 97 S 8.63 4.88 0.00 4.11 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 98 L 8.23 3.89 0.00 1.79 1.58 1.01 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.04 3.89 0.00 2.05 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 2.35 2.38 0.00 100 Q 7.88 3.82 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 101 A 8.02 4.03 1.39 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 0.00 0.00 102 I 6.99 3.07 1.54 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 -0.05 0.64 0.00 0.00 103 E 7.23 4.15 0.00 1.90 2.07 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 2.29 2.32 0.00 104 N 8.30 4.69 0.00 2.77 2.89 0.00 0.00 6.83 8.33 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 0.00 105 N 7.97 5.01 0.00 2.89 2.98 0.00 0.00 6.83 7.81 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 0.00 106 P 0.00 4.73 0.00 2.32 2.32 0.00 3.89 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 107 E 8.57 4.12 0.00 2.14 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 2.40 2.40 0.00 108 G 8.04 3.61 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 0.00 0.00 0.00 109 S 8.09 4.58 0.00 3.98 3.80 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 0.00 110 H 8.37 4.00 0.00 3.35 3.36 0.00 5.55 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.32 4.95 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 0.47 0.00 0.00 0.85 0.00 0.00 112 R 8.91 4.51 0.00 2.16 1.80 0.00 3.13 0.00 0.00 3.08 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 113 V 8.45 4.45 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 0.86 0.00 0.00 0.88 0.00 0.00 114 I 8.78 4.79 1.91 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 1.50 0.97 0.99 0.00 0.00 115 R 8.44 4.18 0.00 1.85 1.82 0.00 3.05 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00