NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.5320 8.0333 111.0908 61.3418 71.6431 172.6034 2 T 4.8981 7.8013 118.2870 60.6742 72.3125 172.1996 3 F 5.0285 8.9519 121.4818 55.5722 42.6744 172.4286 4 N 5.2650 8.7079 116.8417 51.6957 39.8994 175.1123 5 I 4.1320 8.6235 126.1364 61.7605 37.0201 176.2990 6 Q 4.2382 9.2593 127.3290 58.3034 29.3922 175.8017 7 D 4.6651 7.9557 115.5667 51.4634 42.8424 176.2469 8 G 3.9493 8.5616 105.3351 48.3391 0.0000 173.7777 9 P 4.3492 0.0000 0.0000 64.7750 31.3558 178.2642 10 D 4.3221 8.5295 116.9866 57.3468 41.1332 178.1984 11 F 4.0488 8.3732 121.1710 61.3073 39.4391 176.8142 12 Q 4.0155 8.2999 119.2657 59.1603 28.5742 177.9789 13 D 4.2002 8.1502 118.1092 57.1176 41.5348 177.7013 14 R 4.2879 7.9451 115.3860 56.3427 31.2731 177.0930 15 V 3.9991 7.2163 116.4075 64.4688 32.6585 177.5971 16 V 3.5805 7.2323 116.5866 65.4007 31.6102 176.4964 17 N 4.8778 7.6693 114.0490 53.0222 38.9564 175.0202 18 S 4.3247 7.5800 112.8226 58.0933 62.9867 174.0715 19 E 4.1544 8.6786 125.6835 58.0671 29.8374 176.3999 20 T 4.6876 7.4113 112.6207 59.2134 69.8380 172.2851 21 P 4.5596 0.0000 0.0000 62.8436 32.8665 175.3052 22 V 4.7383 8.4987 122.5661 61.1179 34.8365 174.1424 23 V 4.7434 8.6579 127.6108 61.2839 33.8395 174.4222 24 V 4.5187 8.9702 128.2615 61.3805 33.8109 173.9399 25 D 5.0027 8.6571 129.8966 52.5485 42.2015 175.1111 26 F 4.7871 9.0689 126.7006 57.3441 39.9721 174.6852 27 H 5.0394 9.0005 118.6960 53.9504 32.6953 171.9328 28 A 4.5052 7.7034 118.1035 50.3835 21.8102 177.5746 29 Q 3.9075 8.4925 119.0554 58.4812 28.9887 177.8965 30 W 4.3128 7.4678 112.4957 57.3714 28.3610 175.5280 31 C 4.4562 7.4855 121.4665 57.9499 30.8192 173.7793 32 G 3.9925 8.9024 114.6366 47.9844 0.0000 171.9314 33 P 4.3205 0.0000 0.0000 65.2665 31.2229 178.5030 34 C 4.1247 7.8155 114.7186 62.4987 27.6955 176.0547 35 K 3.8853 7.7218 119.3142 59.2756 31.8681 179.0922 36 I 3.9365 7.4651 119.4492 64.1581 37.4589 177.9650 37 L 4.0649 8.1464 121.4100 58.2859 41.9208 178.5094 38 G 3.6594 8.3115 105.6535 47.9597 0.0000 173.6310 39 P 4.2561 0.0000 0.0000 64.6291 31.4118 178.8091 40 R 3.8465 7.8399 117.1147 59.4279 29.9436 178.3522 41 L 3.9567 8.4159 120.4571 58.1657 42.0116 178.8014 42 E 3.9170 8.1967 118.6914 59.0164 29.4498 179.0091 43 K 3.8380 8.0125 119.6719 60.1283 32.0878 178.8439 44 M 4.1354 8.0843 117.5030 58.0033 32.2177 178.8040 45 V 3.7174 8.1934 118.7957 66.0135 31.6789 177.9485 46 A 4.0697 8.0110 120.4404 55.1521 17.9004 179.7180 47 K 3.9858 7.8204 116.0286 59.3107 32.4941 178.6593 48 Q 4.0960 7.9409 116.3938 55.6588 29.0497 175.4004 49 H 4.2757 8.8671 116.6445 57.0334 26.8162 175.4795 50 G 3.9611 8.2715 102.0564 46.2539 0.0000 174.8290 51 K 4.1827 7.9345 120.2590 57.7604 32.4739 177.2222 52 V 4.7868 7.4943 116.4015 60.9777 34.9511 174.7115 53 V 4.7153 8.3437 123.6467 61.2079 35.5676 173.8294 54 M 4.9008 8.5888 124.9317 53.6672 34.8327 174.1224 55 A 3.9879 8.4811 129.2971 50.2711 20.6998 175.8150 56 K 4.4996 8.5886 123.3448 55.8174 34.1485 176.4327 57 V 4.2812 8.3701 124.8683 60.6390 34.2349 174.3701 58 D 4.2806 8.6060 128.6244 53.8807 40.9751 176.3342 59 I 3.8600 8.4494 129.0084 64.1209 38.1901 177.7306 60 D 4.5191 7.9943 119.1664 56.3978 40.7978 176.4237 61 D 4.6472 7.9251 116.1599 54.5421 42.0928 175.8440 62 H 5.0531 7.8260 114.5801 54.4565 30.0347 174.6207 63 T 3.9597 8.1374 119.4771 66.8916 68.6404 175.7608 64 D 4.3845 8.1264 120.3121 56.7771 39.3241 178.7153 65 L 4.0134 7.9543 119.9309 57.0689 41.7012 179.1039 66 A 3.9051 8.1063 120.3804 55.2665 18.2271 179.7916 67 I 3.6439 7.8539 118.3097 64.3366 36.9312 178.1907 68 E 3.7983 8.2758 119.4746 59.0832 29.5015 177.6930 69 Y 4.4181 7.6781 112.8968 56.5019 38.7052 175.2702 70 E 3.6308 7.7254 118.3149 57.2320 27.5715 175.5942 71 V 3.7111 7.6982 118.8255 62.3586 31.4597 175.2847 72 S 4.6449 8.5859 120.5853 57.8383 64.5052 173.4181 73 A 4.8924 7.6779 122.4813 50.3427 22.1821 175.2258 74 V 4.5662 8.1100 118.2105 58.8728 34.3387 173.8820 75 P 4.7255 0.0000 0.0000 63.1937 33.0197 175.0869 76 T 4.8829 8.4631 118.1852 61.7741 72.6125 172.8223 77 V 4.7001 8.3040 126.2117 60.9168 34.1792 173.9657 78 L 5.1822 8.7355 127.5384 52.9637 44.3294 175.1704 79 A 5.0091 8.9408 126.0188 51.1690 20.5018 175.9406 80 M 5.2646 9.0345 122.4574 53.6468 36.3758 175.1594 81 K 4.5423 9.0400 122.4488 55.9788 36.2543 175.6339 82 N 4.2408 10.1669 125.5710 54.2483 36.2697 174.9265 83 G 4.0803 8.6672 106.6891 45.1462 0.0000 173.9942 84 D 4.9395 7.7025 118.9296 52.3189 42.6528 175.8840 85 V 4.3092 8.4020 122.5793 63.1381 31.9039 175.9745 86 V 4.4700 8.4177 119.4184 61.4380 33.8207 174.8488 87 D 4.9154 7.8676 118.8437 53.4716 44.6757 173.5462 88 K 5.3392 8.5217 119.6598 56.1969 35.3261 174.4435 89 F 5.2005 8.3490 115.6791 55.2733 41.7046 173.5371 90 V 4.5792 8.6906 119.2456 61.4134 33.6362 176.9521 91 G 3.8364 8.5395 110.7764 44.7160 0.0000 172.2554 92 I 4.1919 8.0656 119.1565 60.4228 38.0735 175.4923 93 K 4.5199 8.0989 123.8120 54.1877 34.6935 176.3516 94 D 4.6419 8.7200 122.8282 52.6583 41.7288 177.4706 95 E 3.9348 8.5043 118.2128 59.7052 29.3671 179.3720 96 D 4.3207 8.0612 118.3882 57.4492 40.9744 178.6000 97 Q 3.9773 8.3047 118.5835 58.9869 28.5695 179.0060 98 L 3.9805 7.8455 120.0377 57.3875 41.5579 178.9868 99 E 3.9011 8.4640 119.3579 59.3416 29.7373 178.5084 100 A 3.9924 8.0740 120.7253 55.3494 18.3822 179.4333 101 F 4.1162 8.2223 118.8270 61.5127 39.4917 177.4679 102 L 4.0320 8.4435 118.9298 57.7817 41.4787 179.6211 103 K 3.9470 8.3815 118.7780 59.1353 31.6887 179.4030 104 K 3.8478 7.6835 118.9382 59.3067 32.2422 178.1936 105 L 3.9681 7.4122 119.2357 59.0497 42.0437 178.2439 106 I 3.8479 8.0261 119.3792 62.5920 36.8696 176.3686 107 G 3.7337 8.0906 116.0667 45.9837 0.0000 173.2178 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 8.03 4.53 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 1.25 0.00 0.00 2 T 7.80 4.90 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 1.10 0.00 0.00 3 F 8.95 5.03 0.00 3.03 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 4 N 8.71 5.26 0.00 2.67 2.83 0.00 0.00 6.96 7.45 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 5 I 8.62 4.13 1.89 0.00 0.00 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 1.30 0.92 0.91 0.00 0.00 6 Q 9.26 4.24 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.73 0.00 0.00 0.00 0.00 0.00 2.65 2.46 0.00 7 D 7.96 4.67 0.00 2.93 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 8 G 8.56 3.95 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 0.00 0.00 0.00 9 P 0.00 4.35 0.00 2.20 2.15 0.00 3.83 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 10 D 8.53 4.32 0.00 3.04 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 11 F 8.37 4.05 0.00 3.24 3.27 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 12 Q 8.30 4.02 0.00 2.36 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.60 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 13 D 8.15 4.20 0.00 2.75 2.78 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 14 R 7.95 4.29 0.00 1.85 1.72 0.00 3.02 0.00 0.00 2.98 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.37 0.00 15 V 7.22 4.00 0.97 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 0.65 0.00 0.00 0.60 0.00 0.00 16 V 7.23 3.58 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 1.01 0.00 0.00 1.05 0.00 0.00 17 N 7.67 4.88 0.00 2.97 2.78 0.00 0.00 7.04 7.73 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 18 S 7.58 4.32 0.00 4.06 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 0.00 19 E 8.68 4.15 0.00 1.99 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 0.00 2.29 2.22 0.00 20 T 7.41 4.69 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 1.24 0.00 0.00 21 P 0.00 4.56 0.00 2.09 1.92 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 22 V 8.50 4.74 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 0.96 0.00 0.00 0.96 0.00 0.00 23 V 8.66 4.74 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 0.98 0.00 0.00 1.19 0.00 0.00 24 V 8.97 4.52 2.14 0.00 0.00 0.00 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 0.92 0.00 0.00 25 D 8.66 5.00 0.00 2.74 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.07 4.79 0.00 3.19 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 27 H 9.00 5.04 0.00 3.11 3.26 0.00 5.45 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 28 A 7.70 4.51 0.03 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 0.00 0.00 29 Q 8.49 3.91 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.00 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 30 W 7.47 4.31 0.00 3.48 3.19 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 31 C 7.49 4.46 0.00 2.22 2.62 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 32 G 8.90 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 33 P 0.00 4.32 0.00 2.17 2.14 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 34 C 7.82 4.12 0.00 3.10 2.91 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 35 K 7.72 3.89 0.00 1.85 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.60 7.81 36 I 7.47 3.94 2.00 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 1.52 1.24 0.90 0.00 0.00 37 L 8.15 4.06 0.00 1.77 1.66 1.02 1.22 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 38 G 8.31 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 39 P 0.00 4.26 0.00 2.15 2.09 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.12 0.00 40 R 7.84 3.85 0.00 1.99 2.06 0.00 3.16 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 41 L 8.42 3.96 0.00 1.91 1.63 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.20 3.92 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 2.29 2.26 0.00 43 K 8.01 3.84 0.00 1.83 2.02 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.49 7.81 44 M 8.08 4.14 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.86 0.00 45 V 8.19 3.72 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 1.08 0.00 0.00 1.00 0.00 0.00 46 A 8.01 4.07 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 47 K 7.82 3.99 0.00 1.93 1.84 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.64 7.81 48 Q 7.94 4.10 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.26 0.00 0.00 0.00 0.00 0.00 2.65 2.55 0.00 49 H 8.87 4.28 0.00 3.22 3.31 0.00 5.73 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 50 G 8.27 3.96 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 0.00 0.00 0.00 51 K 7.93 4.18 0.00 1.88 1.88 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.52 7.81 52 V 7.49 4.79 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 0.83 0.00 0.00 0.93 0.00 0.00 53 V 8.34 4.72 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 1.16 0.00 0.00 1.05 0.00 0.00 54 M 8.59 4.90 0.00 1.94 1.78 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 2.35 2.24 0.00 55 A 8.48 3.99 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 56 K 8.59 4.50 0.00 1.74 1.59 0.00 1.43 0.00 0.00 1.44 0.00 0.00 2.75 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.24 1.17 7.81 57 V 8.37 4.28 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 0.00 0.00 0.54 0.00 0.00 0.57 0.00 0.00 58 D 8.61 4.28 0.00 2.61 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.45 3.86 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.44 1.01 0.00 0.00 60 D 7.99 4.52 0.00 2.84 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 61 D 7.93 4.65 0.00 2.58 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.83 5.05 0.00 3.16 3.16 0.00 5.69 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.14 3.96 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 1.23 0.00 0.00 64 D 8.13 4.38 0.00 2.86 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 65 L 7.95 4.01 0.00 1.99 1.95 0.44 0.48 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 66 A 8.11 3.91 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.85 3.64 2.00 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 1.40 0.79 0.88 0.00 0.00 68 E 8.28 3.80 0.00 1.86 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 1.47 2.01 0.00 69 Y 7.68 4.42 0.00 3.07 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 70 E 7.73 3.63 0.00 2.04 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 2.21 2.18 0.00 71 V 7.70 3.71 1.63 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 0.44 0.00 0.00 -0.17 0.00 0.00 72 S 8.59 4.64 0.00 3.97 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 73 A 7.68 4.89 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 74 V 8.11 4.57 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 0.43 0.00 0.00 0.88 0.00 0.00 75 P 0.00 4.73 0.00 2.14 2.20 0.00 3.65 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 2.15 2.00 0.00 76 T 8.46 4.88 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 1.03 0.00 0.00 77 V 8.30 4.70 0.67 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 0.83 0.00 0.00 0.51 0.00 0.00 78 L 8.74 5.18 0.00 1.64 1.54 0.73 0.52 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 79 A 8.94 5.01 1.13 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 0.00 0.00 0.00 0.00 0.00 80 M 9.03 5.26 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 81 K 9.04 4.54 0.00 1.77 1.58 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.41 7.81 82 N 10.17 4.24 0.00 2.87 2.86 0.00 0.00 7.39 7.65 0.00 0.00 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 8.67 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 84 D 7.70 4.94 0.00 2.78 2.62 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 85 V 8.40 4.31 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 0.95 0.00 0.00 1.14 0.00 0.00 86 V 8.42 4.47 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 0.92 0.00 0.00 87 D 7.87 4.92 0.00 2.54 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 0.00 0.00 0.00 0.00 88 K 8.52 5.34 0.00 1.94 1.78 0.00 1.57 0.00 0.00 1.78 0.00 0.00 2.76 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.38 1.47 7.81 89 F 8.35 5.20 0.00 2.97 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.69 4.58 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 0.77 0.00 0.00 1.04 0.00 0.00 91 G 8.54 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 92 I 8.07 4.19 1.86 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 1.42 0.62 0.88 0.00 0.00 93 K 8.10 4.52 0.00 1.10 1.29 0.00 0.61 0.00 0.00 1.12 0.00 0.00 2.32 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.84 0.21 7.81 94 D 8.72 4.64 0.00 2.89 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 95 E 8.50 3.93 0.00 2.01 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 0.00 2.38 2.38 0.00 96 D 8.06 4.32 0.00 2.66 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 97 Q 8.30 3.98 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 98 L 7.85 3.98 0.00 1.82 1.73 0.89 0.53 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 99 E 8.46 3.90 0.00 2.14 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 0.00 2.31 2.38 0.00 100 A 8.07 3.99 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 0.00 101 F 8.22 4.12 0.00 3.23 3.29 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 0.00 102 L 8.44 4.03 0.00 1.91 1.74 1.02 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 103 K 8.38 3.95 0.00 1.85 1.85 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.58 7.81 104 K 7.68 3.85 0.00 1.89 1.88 0.00 1.80 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.40 7.81 105 L 7.41 3.97 0.00 1.36 1.75 0.83 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.03 3.85 1.85 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 1.44 0.73 0.90 0.00 0.00 107 G 8.09 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 0.00 0.00 0.00