NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.5287 8.1749 117.3745 63.7515 70.1416 172.9710 2 T 4.6725 9.2142 121.6919 60.4197 72.6923 171.5205 3 T 5.2405 8.3741 116.0984 60.1600 72.5840 172.5357 4 L 5.0127 9.1294 123.8433 54.6215 44.8977 175.0908 5 A 5.5661 8.5285 119.5241 51.9214 21.8468 175.7005 6 F 5.0615 8.1521 117.2051 55.0514 41.8943 173.6231 7 R 5.1760 8.8188 120.8389 55.2103 31.6292 175.1321 8 F 5.0577 9.8416 120.1506 55.2293 41.3904 174.6918 9 Q 3.7770 8.8910 121.4697 59.1466 28.4965 177.7708 10 G 3.5574 5.5076 103.4234 45.1646 0.0000 172.4203 11 G 4.2724 6.9156 108.4257 43.9428 0.0000 176.4935 12 I 5.2125 8.5832 123.9631 59.3711 41.0383 173.1689 13 I 4.2540 7.9405 126.6646 59.3682 39.5745 174.8324 14 V 4.8443 8.1475 125.0303 61.0603 34.1055 174.3718 15 A 4.8251 8.7495 128.4282 50.4814 22.4922 175.0510 16 V 4.9795 8.2849 113.4774 60.3587 36.4256 174.2368 17 D 4.9636 8.2399 122.0118 52.6520 41.8784 177.4268 18 S 4.6622 8.2028 114.4190 58.9027 64.8283 172.9873 19 R 4.8288 8.3731 120.6669 55.9331 31.1441 175.3293 20 A 4.8601 9.4068 128.5377 50.2747 21.5582 175.0036 21 T 4.9650 8.6529 112.1970 59.9013 72.1495 174.1253 22 A 4.6110 9.1336 127.5698 51.0576 20.4643 177.4613 23 G 3.9932 8.2197 114.7730 47.8049 0.0000 173.2138 24 N 4.7456 8.9528 121.9777 52.3773 39.1399 174.2466 25 W 4.5145 8.1560 130.5429 56.7307 31.3210 175.3500 26 V 3.9556 7.4378 125.7309 61.2295 30.2205 175.1266 27 A 3.7817 8.2545 131.7167 54.6761 18.6737 177.5607 28 S 4.5327 7.2462 107.3964 57.7032 65.1297 174.1421 29 Q 5.2946 8.7790 121.4475 54.5802 30.0045 175.6397 30 T 4.6598 7.7576 108.2982 61.3613 68.9724 174.3627 31 V 3.9989 7.9080 121.0211 63.3311 33.0352 175.7575 32 K 4.3865 8.5072 126.2395 55.2015 32.1641 176.2477 33 K 4.3238 8.5948 123.8419 56.5600 33.4394 176.3492 34 V 4.6970 7.6359 120.9548 61.2128 33.1723 174.6560 35 I 4.2009 9.2450 130.9603 60.3005 38.7222 175.9805 36 E 4.4470 8.7168 127.7054 54.3062 28.1742 175.7715 37 I 3.7992 7.8811 123.6315 63.2921 37.7251 175.4360 38 N 4.4280 7.8200 114.5474 51.5478 39.9660 173.1849 39 P 4.0457 0.0000 0.0000 64.8876 31.1797 177.2345 40 F 4.8498 9.1166 114.0450 56.7314 40.6552 174.9705 41 L 5.2175 8.2605 121.1165 52.8006 45.2513 175.5522 42 L 5.0343 9.0810 121.9459 52.9480 45.8177 175.8067 43 G 4.9213 9.4322 108.9012 43.2373 0.0000 171.8002 44 T 5.0372 8.1836 112.3678 60.0450 71.5280 173.4850 45 M 4.7510 9.0503 122.8111 53.8897 33.9874 174.9709 46 A 4.6029 8.5673 125.7125 50.6243 23.1663 173.5370 47 G 4.3202 9.3151 106.9684 44.2283 0.0000 176.4370 48 G 3.8927 9.9843 117.0492 43.8501 0.0000 173.4235 49 A 3.9498 8.8802 127.2877 55.3642 18.4331 178.9647 50 A 3.9553 8.0593 118.2211 55.6308 18.4896 179.1033 51 D 4.4707 8.2056 116.4438 58.0534 40.8879 178.9052 52 C 4.2424 8.2135 116.7169 62.8604 28.0844 175.6002 53 Q 4.0031 8.5105 121.4283 59.8635 28.5055 178.3513 54 F 3.9421 8.8487 121.7722 61.0467 39.3958 177.0637 55 W 4.4672 8.5111 118.1927 59.6301 28.9259 178.2560 56 E 4.3212 8.7178 118.6158 59.0072 28.9305 179.0827 57 T 3.9209 7.7766 116.2064 66.1211 68.4685 176.5257 58 W 4.0122 8.3589 130.6836 60.3047 30.6328 177.5829 59 L 3.6669 8.4764 120.5224 58.1405 41.4786 178.9838 60 G 3.7035 7.9688 105.4883 48.0949 0.0000 175.7306 61 S 4.0039 7.5417 117.0542 61.4961 62.8914 176.8018 62 Q 3.7792 7.3881 120.6130 58.9718 28.2887 178.7922 63 C 4.0827 8.1267 117.9817 62.8207 28.2104 176.1610 64 R 3.9059 7.9009 120.2944 59.3834 29.6702 178.5855 65 L 3.9990 7.9835 118.9152 57.8554 41.5630 178.9387 66 H 4.0973 8.2874 118.2890 59.3729 29.8348 177.2910 67 E 4.2425 8.2748 120.4194 59.2495 29.0179 179.3533 68 L 3.9847 7.7982 118.5321 57.5137 41.7305 179.2551 69 R 3.9943 7.8211 117.6748 59.2934 30.2770 177.7148 70 E 4.2653 8.2501 114.9298 54.9602 30.3990 176.1198 71 K 3.8546 7.8313 118.0144 56.3409 30.4323 174.8347 72 E 4.5157 7.6735 114.0910 54.8465 32.7505 174.4743 73 R 3.9333 8.6837 126.4394 56.5054 30.4386 175.9447 74 I 3.8010 8.6596 126.2600 60.9270 38.8312 175.9565 75 S 4.5160 8.2362 120.7889 57.6527 65.5168 175.5262 76 V 3.6366 8.3571 122.7167 66.0350 31.3881 178.2455 77 A 3.9552 7.9790 119.8635 55.1420 18.2713 179.3697 78 A 3.8796 8.0507 118.9359 55.2071 18.3573 179.5211 79 A 3.9194 8.3630 120.0541 55.4703 18.4350 180.0598 80 S 4.1124 8.2611 112.7178 61.5392 63.1326 176.6657 81 K 4.2400 8.0144 122.8621 58.7861 31.9187 178.9585 82 I 3.7520 7.9506 120.6328 64.2090 36.9690 178.0528 83 L 4.1577 7.7904 121.0847 58.2853 42.0481 178.6114 84 S 4.1156 8.6019 113.4211 61.8551 62.0633 176.0911 85 N 4.4458 8.5132 117.8817 55.9604 38.4210 177.0016 86 L 3.9843 7.9645 121.7728 58.2092 42.2526 178.9375 87 V 3.3656 7.8679 118.3367 66.4393 31.3685 177.3892 88 Y 4.1457 8.2396 118.5602 60.3553 38.3582 177.7272 89 Q 3.9620 8.1821 118.4429 57.8968 28.8596 176.9298 90 Y 4.5164 7.5181 116.5388 56.0894 38.1981 174.9998 91 K 3.9303 6.8734 122.1272 58.2274 31.2838 176.5885 92 G 3.9906 9.0420 114.4130 45.5582 0.0000 174.9460 93 A 4.0560 7.9071 121.8048 53.5403 18.5010 178.3264 94 G 4.1529 7.4809 101.2662 45.1983 0.0000 174.1866 95 L 4.1691 7.6493 118.7923 54.7806 42.2490 176.8584 96 S 4.6651 9.7082 116.3338 57.2564 65.0250 172.4791 97 M 5.1973 8.4855 123.4011 54.1021 32.6989 174.4533 98 G 4.1246 9.4260 109.6515 44.8416 0.0000 171.3333 99 T 5.0019 8.5124 119.6397 60.3123 71.4291 172.5880 100 M 4.6335 9.0419 125.9150 53.7252 34.3795 175.0649 101 I 4.6298 8.4486 125.3241 60.3821 38.4498 174.8729 102 C 4.8802 9.3015 126.0031 57.9725 30.7207 173.6344 103 G 4.5131 8.4364 108.8190 45.7994 0.0000 172.4557 104 Y 4.7707 8.5987 120.7463 56.0211 39.5639 174.9493 105 T 4.2482 8.4945 115.1043 61.3718 69.1147 174.9627 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 T 8.17 4.53 4.25 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 1.22 0.00 0.00 2 T 9.21 4.67 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 1.22 0.00 0.00 3 T 8.37 5.24 4.25 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 1.27 0.00 0.00 4 L 9.13 5.01 0.00 1.69 1.79 1.02 0.99 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 5 A 8.53 5.57 1.20 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 6 F 8.15 5.06 0.00 3.07 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 7 R 8.82 5.18 0.00 1.92 1.94 0.00 3.17 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 8 F 9.84 5.06 0.00 3.32 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 9 Q 8.89 3.78 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.40 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 10 G 5.51 3.56 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 0.00 11 G 6.92 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 12 I 8.58 5.21 1.90 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 1.34 0.70 0.89 0.00 0.00 13 I 7.94 4.25 0.56 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.56 0.61 0.00 0.00 14 V 8.15 4.84 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 0.77 0.00 0.00 0.88 0.00 0.00 15 A 8.75 4.83 1.21 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 16 V 8.28 4.98 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 0.74 0.00 0.00 0.93 0.00 0.00 17 D 8.24 4.96 0.00 2.79 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 18 S 8.20 4.66 0.00 4.04 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 19 R 8.37 4.83 0.00 1.93 1.98 0.00 3.16 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.49 0.00 20 A 9.41 4.86 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 21 T 8.65 4.97 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 1.15 0.00 0.00 22 A 9.13 4.61 1.45 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 0.00 0.00 0.00 23 G 8.22 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 0.00 0.00 0.00 24 N 8.95 4.75 0.00 2.80 2.92 0.00 0.00 6.71 7.68 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 25 W 8.16 4.51 0.00 3.34 3.22 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 26 V 7.44 3.96 1.61 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 0.60 0.00 0.00 0.78 0.00 0.00 27 A 8.25 3.78 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 28 S 7.25 4.53 0.00 3.78 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 29 Q 8.78 5.29 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.29 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 30 T 7.76 4.66 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 1.19 0.00 0.00 31 V 7.91 4.00 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 0.81 0.00 0.00 0.96 0.00 0.00 32 K 8.51 4.39 0.00 1.66 1.78 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.51 7.81 33 K 8.59 4.32 0.00 1.71 1.83 0.00 1.89 0.00 0.00 1.88 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.43 7.81 34 V 7.64 4.70 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 0.86 0.00 0.00 0.93 0.00 0.00 35 I 9.25 4.20 2.07 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 1.26 0.91 0.94 0.00 0.00 36 E 8.72 4.45 0.00 1.94 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 2.26 2.31 0.00 37 I 7.88 3.80 2.01 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 0.77 0.93 0.00 0.00 38 N 7.82 4.43 0.00 2.90 2.91 0.00 0.00 7.05 7.63 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 39 P 0.00 4.05 0.00 1.45 1.75 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.02 0.00 40 F 9.12 4.85 0.00 2.97 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 41 L 8.26 5.22 0.00 1.63 1.56 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 42 L 9.08 5.03 0.00 1.56 1.51 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 43 G 9.43 4.92 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 44 T 8.18 5.04 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 45 M 9.05 4.75 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 46 A 8.57 4.60 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 47 G 9.32 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 48 G 9.98 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 49 A 8.88 3.95 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 50 A 8.06 3.96 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 51 D 8.21 4.47 0.00 2.96 2.88 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 52 C 8.21 4.24 0.00 3.17 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 53 Q 8.51 4.00 0.00 2.26 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 54 F 8.85 3.94 0.00 3.02 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 55 W 8.51 4.47 0.00 3.76 3.32 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 56 E 8.72 4.32 0.00 2.28 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 2.45 2.57 0.00 57 T 7.78 3.92 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 1.12 0.00 0.00 58 W 8.36 4.01 0.00 2.97 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 59 L 8.48 3.67 0.00 2.15 1.98 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.97 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 61 S 7.54 4.00 0.00 3.68 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 62 Q 7.39 3.78 0.00 1.74 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 63 C 8.13 4.08 0.00 3.08 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 R 7.90 3.91 0.00 1.92 2.04 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 65 L 7.98 4.00 0.00 1.99 1.66 0.90 0.74 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 66 H 8.29 4.10 0.00 3.30 3.47 0.00 5.78 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 67 E 8.27 4.24 0.00 2.19 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 2.59 2.61 0.00 68 L 7.80 3.98 0.00 1.76 1.71 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.82 3.99 0.00 2.03 1.93 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 70 E 8.25 4.27 0.00 1.82 1.88 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 2.14 2.27 0.00 71 K 7.83 3.85 0.00 1.83 1.80 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.33 7.81 72 E 7.67 4.52 0.00 1.84 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 2.13 2.21 0.00 73 R 8.68 3.93 0.00 1.59 1.69 0.00 2.21 0.00 0.00 2.71 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.46 0.00 74 I 8.66 3.80 1.82 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.71 0.91 0.00 0.00 75 S 8.24 4.52 0.00 4.07 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 76 V 8.36 3.64 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 1.05 0.00 0.00 0.98 0.00 0.00 77 A 7.98 3.96 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 78 A 8.05 3.88 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 79 A 8.36 3.92 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 80 S 8.26 4.11 0.00 4.09 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 81 K 8.01 4.24 0.00 2.04 1.85 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.47 7.81 82 I 7.95 3.75 2.07 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 1.69 1.03 0.92 0.00 0.00 83 L 7.79 4.16 0.00 1.85 1.91 1.16 1.05 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 84 S 8.60 4.12 0.00 3.89 4.09 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 N 8.51 4.45 0.00 2.84 2.92 0.00 0.00 7.05 7.89 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 86 L 7.96 3.98 0.00 1.86 1.76 -0.76 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.87 3.37 2.30 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 0.95 0.00 0.00 0.78 0.00 0.00 88 Y 8.24 4.15 0.00 3.10 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 89 Q 8.18 3.96 0.00 2.07 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.88 0.00 0.00 0.00 0.00 0.00 2.61 2.45 0.00 90 Y 7.52 4.52 0.00 2.94 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 91 K 6.87 3.93 0.00 1.48 1.39 0.00 1.83 0.00 0.00 1.50 0.00 0.00 3.15 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.36 7.81 92 G 9.04 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 0.00 0.00 0.00 93 A 7.91 4.06 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 94 G 7.48 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 0.00 0.00 0.00 0.00 95 L 7.65 4.17 0.00 1.61 1.59 0.52 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 96 S 9.71 4.67 0.00 3.80 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 97 M 8.49 5.20 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 98 G 9.43 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 0.00 0.00 0.00 0.00 99 T 8.51 5.00 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 1.31 0.00 0.00 100 M 9.04 4.63 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 101 I 8.45 4.63 1.90 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 1.39 0.84 0.95 0.00 0.00 102 C 9.30 4.88 0.00 2.81 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 0.00 103 G 8.44 4.51 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 0.00 104 Y 8.60 4.77 0.00 2.92 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 0.00 105 T 8.49 4.25 4.25 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 1.21 0.00 0.00