NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 4.0129 8.0549 120.3814 62.2425 33.3389 175.2450 8 L 4.6915 7.3571 117.8108 50.7386 44.0635 175.0727 9 S 4.4059 9.4710 117.6875 57.4609 65.2232 175.0128 10 G 3.8473 8.8756 110.9006 48.8463 0.0000 175.6607 11 G 4.3597 7.9070 106.6712 46.5882 0.0000 175.1907 12 E 4.1621 8.1526 120.1847 58.9535 29.3591 179.1168 13 L 4.1016 8.2806 119.6219 57.9614 41.7442 178.9605 14 D 4.4754 7.7482 117.4335 57.5396 40.8413 179.2696 15 K 4.0103 8.0826 118.2361 59.0847 32.0554 178.6485 16 W 4.5019 8.1689 128.6650 60.9007 30.2983 177.3264 17 E 5.3390 8.4451 115.7629 56.2987 28.8130 177.4384 18 K 4.4795 7.6856 117.4852 56.1317 34.1925 176.4372 19 I 4.1184 7.8310 122.0839 61.0841 38.1630 175.6809 20 R 4.3680 8.8839 127.2513 55.8827 30.2773 177.5508 21 L 3.3404 8.5447 124.4463 57.0496 42.5536 177.6977 22 R 4.7836 7.3512 115.9879 53.6866 33.1868 175.1055 23 P 5.0046 0.0000 0.0000 66.1600 31.4938 177.7228 24 G 3.5506 8.1089 104.7757 45.2327 0.0000 173.8466 25 G 3.7565 7.8454 101.3800 45.5158 0.0000 172.6376 26 K 4.1780 8.3464 125.3879 57.8520 33.1294 178.2760 27 K 4.2788 7.6317 117.5320 56.3790 33.2625 176.4402 28 Q 4.8002 8.1631 120.7959 53.9555 33.0294 174.7007 29 Y 3.9437 8.4079 119.9476 58.6632 39.3612 175.7644 30 K 4.9727 8.8394 119.4836 54.6282 36.7461 177.0104 31 L 4.1425 8.8802 119.1005 58.1470 41.4764 179.7163 32 K 4.2248 8.2562 118.0681 60.2130 32.1517 178.4586 33 H 4.6966 8.3111 117.2526 58.7230 28.5790 177.6045 34 I 3.8859 8.3394 121.6181 63.9882 37.1982 178.4614 35 V 3.7431 7.8680 118.7827 65.7244 31.5440 177.3402 36 W 4.4391 8.4221 128.0160 60.9539 30.5392 177.7374 37 A 3.7594 8.3692 120.1014 54.8053 17.7916 179.2478 38 S 4.3312 8.0943 111.9327 60.3561 63.4933 176.9606 39 R 3.8761 7.7993 121.8683 59.0538 29.7921 178.2061 40 E 3.8048 8.0220 118.7944 59.6029 29.3810 179.5923 41 L 4.0828 7.7422 118.2644 57.5639 41.5597 179.3315 42 E 3.8948 8.1311 118.6668 59.4999 29.2540 179.0388 43 R 3.7186 7.8511 117.4859 59.4444 30.0896 177.5330 44 F 4.4684 8.2507 113.6956 56.5064 39.2179 175.5150 45 A 3.7569 8.0065 120.5798 53.2486 16.3393 177.7991 46 V 4.3180 7.8539 118.4205 62.1107 33.7891 174.9587 47 N 4.4118 8.5571 124.5750 52.8269 39.0642 173.8788 48 P 4.4480 0.0000 0.0000 65.5552 30.7500 177.8406 49 G 3.9241 8.1606 104.0006 45.6721 0.0000 174.5224 50 L 4.2889 7.9392 120.9108 56.0026 41.7077 178.4057 51 L 4.1525 7.6523 118.5710 56.7976 41.7539 178.1369 52 E 4.3462 7.8317 117.2657 56.7869 29.8752 175.9180 53 T 4.5132 6.8593 112.9130 59.1582 70.9555 174.5618 54 S 4.2651 8.4490 122.2979 61.1885 62.6710 176.1380 55 E 4.3995 9.0344 122.3119 57.7897 29.7546 178.2422 56 G 3.8601 7.8938 106.9070 47.4530 0.0000 175.1562 57 C 4.1277 8.5025 120.0397 62.5050 28.1181 176.0466 58 R 3.7384 7.9194 120.0028 59.6740 29.5849 178.5201 59 Q 4.0187 8.3971 117.9134 58.6794 28.8237 178.2716 60 I 3.6640 8.2355 121.1649 64.4776 37.1810 178.3598 61 L 3.8871 8.0166 119.8081 57.6944 41.1614 179.9207 62 G 3.5960 7.5561 104.2162 47.8607 0.0000 175.1985 63 Q 4.1502 7.7298 119.3739 59.2537 29.1376 179.3244 64 L 4.1199 8.2999 119.5645 57.5798 41.5231 179.2108 65 Q 3.9345 8.2936 119.8840 58.8203 28.6466 176.7243 66 P 4.2348 0.0000 0.0000 65.5921 31.6773 177.7824 67 S 4.3359 8.0971 109.6922 59.1645 62.3551 175.4767 68 L 3.8095 7.4864 121.8778 58.6687 41.1564 178.6278 69 Q 3.8780 7.9304 118.8516 59.1855 28.9093 177.7693 70 T 4.3450 7.3243 103.8376 61.2523 69.2824 174.7806 71 G 3.9019 7.6085 112.0395 44.8354 0.0000 174.2235 72 S 4.5603 8.2146 114.9524 57.2806 65.6124 174.9022 73 E 4.2701 8.7503 121.0199 59.3641 29.0155 179.1596 74 E 4.2970 8.2600 119.0969 58.7473 29.8064 178.1899 75 L 3.9261 7.6391 119.5611 58.1891 42.2236 179.0550 76 R 3.9619 8.6427 118.3812 59.4246 30.0204 179.1649 77 S 4.2706 8.5106 115.3044 61.4891 62.7131 176.5936 78 L 4.2270 8.3642 122.9567 58.4090 41.9787 178.0325 79 Y 4.0620 8.3055 119.7244 61.0381 38.8225 177.9264 80 N 4.5062 8.4845 117.0789 57.0062 38.6453 177.6043 81 T 4.1514 8.1491 116.3480 66.4754 68.4915 176.4988 82 I 4.0146 7.7152 121.3126 63.2998 37.2354 178.0664 83 A 3.8800 7.9713 122.1290 54.9094 18.1003 179.8724 84 V 3.5628 7.7837 116.4004 66.0222 31.6136 178.1089 85 L 3.8421 7.8709 118.4855 58.6331 41.4243 178.1569 86 Y 4.0132 8.3402 118.5192 61.1510 38.4322 178.0475 87 C 3.7893 8.6058 116.5087 63.1024 28.5872 176.9557 88 V 3.6002 8.2596 119.9245 66.4169 30.9073 177.7628 89 H 4.5652 8.0124 116.5006 58.0404 28.5727 176.8331 90 Q 4.1593 7.8282 117.2497 54.8904 28.7136 175.8663 91 R 3.7674 7.6506 117.4741 56.8571 28.4313 176.2022 92 I 3.7773 7.3058 118.5835 61.0439 36.7450 175.5755 93 D 4.5430 8.6236 126.6622 53.6519 41.4388 175.7639 94 V 4.5247 8.1402 125.3906 59.9897 34.3740 175.3890 95 K 4.3065 8.7045 122.2136 57.7365 33.1762 175.8693 96 D 5.4226 7.4072 115.5221 51.9655 42.0710 176.1002 97 T 3.9914 8.0152 116.7522 66.6897 68.1590 176.8810 98 K 4.0257 8.1228 121.2512 59.3806 32.1328 178.8382 99 E 3.9679 8.5795 118.8785 59.1003 29.4223 178.6375 100 A 4.0419 8.1578 120.4377 55.7727 18.1454 179.6819 101 L 4.1487 7.7999 115.2830 57.4666 41.8784 179.3149 102 D 4.5367 8.1890 119.3729 57.1886 40.7051 178.4213 103 K 4.2139 8.5712 117.7256 58.0096 31.5179 178.4573 104 I 4.2702 7.8643 122.1586 62.7329 37.7533 177.1962 105 E 4.5051 8.1957 117.4735 58.2817 29.8556 181.4126 106 E 4.6165 7.8712 117.0698 59.3191 31.1736 177.4275 107 E 4.1286 7.6458 118.8598 59.2816 29.1959 178.7065 108 Q 4.7535 7.3881 115.3444 56.5185 28.5173 176.0805 109 N 4.8362 8.4140 120.1292 52.7263 38.5798 175.9862 110 K 5.2680 7.4783 126.8948 55.1833 35.0588 178.3252 111 S 4.3742 7.7248 122.3787 59.7140 62.7293 174.6942 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 7 V 8.05 4.01 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 0.86 0.00 0.00 0.87 0.00 0.00 8 L 7.36 4.69 0.00 1.56 1.41 0.49 0.22 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 9 S 9.47 4.41 0.00 3.93 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 10 G 8.88 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 11 G 7.91 4.36 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 0.00 12 E 8.15 4.16 0.00 2.28 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 2.31 2.34 0.00 13 L 8.28 4.10 0.00 1.92 1.78 0.89 1.11 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 14 D 7.75 4.48 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 15 K 8.08 4.01 0.00 2.08 1.92 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.53 7.81 16 W 8.17 4.50 0.00 3.34 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 17 E 8.45 5.34 0.00 2.05 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 0.00 2.74 2.65 0.00 18 K 7.69 4.48 0.00 1.91 1.82 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.38 7.81 19 I 7.83 4.12 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 1.53 0.82 0.94 0.00 0.00 20 R 8.88 4.37 0.00 1.80 1.81 0.00 3.11 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 1.60 1.76 0.00 21 L 8.54 3.34 0.00 1.31 1.37 0.66 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.35 4.78 0.00 1.74 1.73 0.00 3.09 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 23 P 0.00 5.00 0.00 2.03 2.10 0.00 3.69 0.00 0.00 4.30 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 24 G 8.11 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 25 G 7.85 3.76 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 0.00 0.00 0.00 26 K 8.35 4.18 0.00 1.71 1.83 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.42 7.81 27 K 7.63 4.28 0.00 1.64 1.56 0.00 1.43 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.46 7.81 28 Q 8.16 4.80 0.00 1.80 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.00 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 29 Y 8.41 3.94 0.00 2.22 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 30 K 8.84 4.97 0.00 1.87 1.81 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.68 7.81 31 L 8.88 4.14 0.00 1.75 1.79 0.92 0.89 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 32 K 8.26 4.22 0.00 2.00 2.11 0.00 1.45 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.30 7.81 33 H 8.31 4.70 0.00 4.03 3.87 0.00 5.61 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 34 I 8.34 3.89 1.97 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.17 0.77 0.00 0.00 35 V 7.87 3.74 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 1.10 0.00 0.00 1.04 0.00 0.00 36 W 8.42 4.44 0.00 3.57 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 37 A 8.37 3.76 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.09 4.33 0.00 4.05 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 39 R 7.80 3.88 0.00 1.90 1.94 0.00 3.28 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.67 0.00 40 E 8.02 3.80 0.00 1.74 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 1.47 1.47 0.00 41 L 7.74 4.08 0.00 1.85 1.90 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.13 3.89 0.00 2.18 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 2.31 2.38 0.00 43 R 7.85 3.72 0.00 1.70 1.88 0.00 2.78 0.00 0.00 2.51 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.44 0.00 44 F 8.25 4.47 0.00 3.06 3.02 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 0.00 0.00 0.00 45 A 8.01 3.76 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 46 V 7.85 4.32 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 0.82 0.00 0.00 1.00 0.00 0.00 47 N 8.56 4.41 0.00 2.83 2.70 0.00 0.00 6.86 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 48 P 0.00 4.45 0.00 2.28 2.47 0.00 3.74 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 49 G 8.16 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 0.00 0.00 0.00 50 L 7.94 4.29 0.00 1.97 1.80 0.96 0.46 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 51 L 7.65 4.15 0.00 1.61 1.67 0.89 0.89 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 52 E 7.83 4.35 0.00 2.13 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 2.36 2.27 0.00 53 T 6.86 4.51 4.17 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 0.00 0.00 0.00 1.24 0.00 0.00 54 S 8.45 4.27 0.00 3.78 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 55 E 9.03 4.40 0.00 1.97 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 2.30 2.48 0.00 56 G 7.89 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 57 C 8.50 4.13 0.00 3.20 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 58 R 7.92 3.74 0.00 2.34 2.14 0.00 3.10 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.71 0.00 59 Q 8.40 4.02 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.67 0.00 60 I 8.24 3.66 1.81 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 1.50 0.82 0.86 0.00 0.00 61 L 8.02 3.89 0.00 1.69 1.50 0.51 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 62 G 7.56 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 63 Q 7.73 4.15 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 64 L 8.30 4.12 0.00 1.89 1.84 0.89 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.29 3.93 0.00 2.46 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.65 0.00 66 P 0.00 4.23 0.00 2.05 2.10 0.00 3.86 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 67 S 8.10 4.34 0.00 3.89 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 L 7.49 3.81 0.00 1.68 1.49 0.10 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 7.93 3.88 0.00 1.95 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 70 T 7.32 4.34 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 1.20 0.00 0.00 71 G 7.61 3.90 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 0.00 0.00 0.00 72 S 8.21 4.56 0.00 4.13 4.07 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 73 E 8.75 4.27 0.00 2.05 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 0.00 2.43 2.34 0.00 74 E 8.26 4.30 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.80 0.00 75 L 7.64 3.93 0.00 1.89 1.72 0.54 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 76 R 8.64 3.96 0.00 1.86 1.99 0.00 3.34 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.83 0.00 77 S 8.51 4.27 0.00 4.41 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 78 L 8.36 4.23 0.00 1.90 1.80 0.78 0.43 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 79 Y 8.31 4.06 0.00 3.02 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 80 N 8.48 4.51 0.00 2.96 3.02 0.00 0.00 7.12 6.96 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 81 T 8.15 4.15 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 82 I 7.72 4.01 1.77 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 0.65 0.82 0.00 0.00 83 A 7.97 3.88 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 84 V 7.78 3.56 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 0.65 0.00 0.00 0.89 0.00 0.00 85 L 7.87 3.84 0.00 1.98 1.67 -0.10 1.09 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 86 Y 8.34 4.01 0.00 3.09 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 87 C 8.61 3.79 0.00 3.33 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 88 V 8.26 3.60 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 1.05 0.00 0.00 1.16 0.00 0.00 89 H 8.01 4.57 0.00 3.11 3.19 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 Q 7.83 4.16 0.00 1.77 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.68 0.00 0.00 0.00 0.00 0.00 1.63 1.46 0.00 91 R 7.65 3.77 0.00 1.92 1.97 0.00 3.14 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 92 I 7.31 3.78 1.89 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 1.20 0.44 0.94 0.00 0.00 93 D 8.62 4.54 0.00 2.63 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 94 V 8.14 4.52 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 0.85 0.00 0.00 0.97 0.00 0.00 95 K 8.70 4.31 0.00 1.99 1.88 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.37 7.81 96 D 7.41 5.42 0.00 2.91 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 97 T 8.02 3.99 4.31 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 1.33 0.00 0.00 98 K 8.12 4.03 0.00 1.85 2.03 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 99 E 8.58 3.97 0.00 2.29 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 2.35 2.34 0.00 100 A 8.16 4.04 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 0.00 101 L 7.80 4.15 0.00 1.72 1.83 1.12 1.43 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 0.00 102 D 8.19 4.54 0.00 2.73 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 0.00 103 K 8.57 4.21 0.00 1.96 1.92 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.51 7.81 104 I 7.86 4.27 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.83 0.92 0.00 0.00 105 E 8.20 4.51 0.00 2.05 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 2.17 0.00 106 E 7.87 4.62 0.00 2.12 2.11 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 2.40 2.37 0.00 107 E 7.65 4.13 0.00 2.32 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 2.44 2.33 0.00 108 Q 7.39 4.75 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.38 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 109 N 8.41 4.84 0.00 2.66 2.83 0.00 0.00 6.67 7.49 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 0.00 110 K 7.48 5.27 0.00 1.80 1.67 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.11 0.78 7.81 111 S 7.72 4.37 0.00 3.87 3.78 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 0.00 0.00 0.00