NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4350 8.2893 118.1830 55.8784 32.6165 173.8071 2 V 4.4754 7.6655 113.9955 62.0216 33.4943 170.8860 3 T 4.6711 8.8202 119.9438 62.8474 73.9470 174.1283 4 Q 5.2007 8.1768 121.9344 53.9713 31.5660 174.5678 5 F 5.1579 8.1985 116.5880 56.6352 42.3251 176.0564 6 K 4.1763 9.0615 122.3022 56.5055 34.3790 176.7630 7 T 4.5834 7.7681 108.0400 58.7573 71.2955 174.6347 8 A 4.0288 8.6556 126.8132 55.1262 18.0845 179.4572 9 S 3.9544 7.9894 110.2048 61.0963 62.5566 175.1802 10 E 4.0955 8.2439 121.9657 58.6363 29.4856 178.0113 11 F 2.9311 7.0879 120.0240 61.0453 38.7349 176.6246 12 D 4.0095 8.0279 118.1720 57.1622 40.6101 178.4401 13 S 4.1302 7.8351 113.6912 60.7344 63.4267 175.6683 14 A 4.2872 7.8556 123.4876 55.1613 18.1748 179.2738 15 I 4.1561 7.5867 110.9969 63.2603 38.1474 174.0408 16 A 3.9350 7.2613 127.8914 51.9013 17.5469 176.0118 17 Q 3.2339 8.4146 114.4604 57.3092 25.6475 174.2619 18 D 4.4971 8.2663 122.9137 52.8388 42.7658 177.0732 19 K 3.7830 7.8700 119.2129 56.1690 30.7200 174.1256 20 L 5.1925 8.2632 123.5530 54.1713 43.1874 176.6798 21 V 4.2974 8.4710 126.8825 61.6893 33.8650 174.8530 22 V 4.1307 8.6381 129.2420 61.5356 31.4201 173.2748 23 V 4.8622 8.5712 126.5950 60.2728 33.7067 173.4353 24 D 5.8500 8.3923 126.9198 51.6441 43.0996 176.5629 25 F 4.6674 8.5356 127.2924 56.2057 37.4799 175.9230 26 Y 4.2789 7.5494 117.5543 57.3212 39.0222 177.6257 27 A 4.2051 7.9180 124.9602 52.1601 18.9153 178.6686 28 T 4.2012 8.7511 116.3827 63.9348 68.6581 174.7690 29 W 4.7529 6.7922 114.3549 54.5617 27.3614 176.1106 30 C 3.9189 9.6379 121.2158 58.1607 30.6931 171.2172 31 G 3.6748 7.9376 111.7888 46.9299 0.0000 173.1739 32 P 4.6039 0.0000 0.0000 61.7433 30.3422 176.4690 33 C 4.5272 7.5157 112.1140 59.2673 32.0149 176.3687 34 K 4.0086 7.7476 119.4613 58.5068 30.5132 178.0940 35 M 4.1782 7.9290 117.6479 57.7216 32.0250 177.6677 36 I 4.1337 7.6491 119.1521 63.9663 37.2735 177.3432 37 A 4.0672 7.5916 121.6019 54.9204 18.2924 177.6476 38 P 4.3504 0.0000 0.0000 66.0854 31.4646 178.5498 39 M 4.1656 7.5474 118.3510 58.5284 31.7989 178.5617 40 I 3.6408 8.3892 119.6826 64.6319 37.5309 177.5608 41 E 4.0554 7.9686 119.8935 58.9166 29.0596 178.7088 42 K 3.9390 8.2757 118.5881 59.3342 32.0727 179.0712 43 F 4.1001 8.3249 117.3075 59.6554 38.9270 177.0857 44 S 3.2207 7.1843 112.2250 59.8097 61.8078 175.2662 45 E 4.0266 7.3518 119.0409 58.7843 29.5336 177.8545 46 Q 4.0423 7.6636 116.6160 56.7395 30.2956 175.5077 47 Y 4.9648 7.8431 117.0802 55.8692 38.5634 175.1936 48 P 4.6145 0.0000 0.0000 65.1803 31.6632 177.9837 49 Q 4.1093 8.3413 116.7319 58.1168 28.9204 176.0615 50 A 4.7840 8.5323 119.1591 50.7052 20.8176 176.6315 51 D 4.6608 8.3375 119.9161 53.7003 42.9293 176.0387 52 F 4.8747 8.9233 122.6400 56.3969 39.7217 174.6540 53 Y 5.0086 8.0574 121.3138 56.3744 41.1995 174.2609 54 K 4.6888 8.0759 118.0568 54.9653 36.6550 175.6307 55 L 4.4891 8.5214 126.9596 53.2212 44.1300 175.0488 56 D 4.8770 7.8070 124.9119 52.7934 41.8969 177.0488 57 V 3.8831 8.3366 125.5388 64.1512 32.1087 176.8628 58 D 4.5287 8.2246 117.6914 57.0696 41.9373 176.8585 59 E 4.2071 9.5324 119.4576 58.1497 30.0521 177.1988 60 L 4.8148 8.1404 119.5033 53.5896 42.0940 178.5479 61 G 3.9081 8.2711 107.1054 47.5305 0.0000 174.9048 62 D 4.4042 8.0425 120.6102 57.5551 40.5989 178.6582 63 V 3.1453 7.7140 118.2641 65.8496 31.3127 177.6155 64 A 4.5589 8.1812 120.0948 54.3212 18.5387 178.9345 65 Q 3.9137 7.7870 116.1837 58.1708 29.0386 178.2860 66 K 3.8918 8.8023 120.6339 59.9212 32.4755 177.5652 67 N 4.5585 7.7217 112.8167 52.2970 38.6428 174.6971 68 E 3.7082 7.9474 116.8574 57.7644 27.2260 175.2826 69 V 4.1868 8.4774 120.2979 61.6099 31.7859 174.4344 70 S 4.8053 8.4263 120.5456 57.8891 64.2800 176.6443 71 A 4.3596 7.7214 124.3607 53.7020 18.1462 177.2064 72 M 4.5000 7.9588 104.5800 54.8092 31.7769 172.5758 73 P 4.8734 0.0000 0.0000 62.6822 34.5597 175.2479 74 T 4.7394 7.8846 112.6181 62.7991 73.6894 172.8473 75 L 5.0351 8.2289 122.5797 52.9631 44.6145 175.4767 76 L 4.7571 9.0293 123.8680 52.7130 44.8525 175.4317 77 L 4.9140 8.1453 123.5015 52.1387 44.9493 175.6704 78 F 5.4279 8.2467 119.8097 55.2862 43.4549 173.3418 79 K 4.8987 8.7849 122.4555 54.6399 34.5301 175.8127 80 N 3.9654 9.6397 120.4450 55.3232 35.6863 173.8368 81 G 4.0592 9.4202 101.9393 45.9553 0.0000 171.8103 82 K 4.6715 8.0410 120.0457 54.7456 34.9124 174.3604 83 E 5.2689 8.4274 120.7822 56.1718 32.2382 175.4328 84 V 4.4812 7.9037 111.7415 61.8950 39.9227 173.5079 85 A 4.5480 7.1662 118.6467 51.1729 23.2288 175.6924 86 K 4.5789 8.2895 118.5659 55.8592 34.8185 176.1324 87 V 4.2232 8.5775 125.8808 60.2657 33.8398 174.3189 88 V 3.5068 8.4223 127.5781 64.9728 31.1259 173.6603 89 G 3.0430 8.2279 112.6696 44.6232 0.0000 171.3442 90 A 4.5492 7.9461 132.6142 51.6837 19.7357 176.8034 91 N 4.5269 8.0440 118.0977 53.8131 39.2605 171.6344 92 P 4.7185 0.0000 0.0000 61.9261 30.9076 174.0216 93 A 4.5457 7.6286 131.4536 51.9828 21.8098 177.0413 94 A 4.5551 7.5399 117.1648 53.6235 20.8739 178.0775 95 I 3.0611 7.9652 113.7997 63.4546 37.7867 177.3215 96 K 4.6448 8.0559 118.8593 60.0430 33.3681 178.8782 97 Q 4.0516 8.0961 119.2271 58.0934 28.4802 178.2790 98 A 3.9770 8.7914 122.3933 54.6403 18.4167 178.8306 99 I 3.7549 7.2096 116.5269 62.5158 36.9644 177.0708 100 A 4.4348 7.7681 122.5361 53.9873 18.6895 178.9408 101 A 3.7309 7.8843 119.5655 54.9595 18.6061 179.4001 102 N 4.3779 7.5193 113.6533 55.8989 38.9937 175.2050 103 A 4.3229 7.3876 125.8163 52.1892 19.2787 176.5224 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 M 8.29 4.44 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 2 V 7.67 4.48 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 0.98 0.00 0.00 1.00 0.00 0.00 3 T 8.82 4.67 4.50 0.00 0.00 0.00 0.00 0.00 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 Q 8.18 5.20 0.00 1.91 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.20 0.00 5 F 8.20 5.16 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 6 K 9.06 4.18 0.00 1.75 1.86 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.51 7.81 7 T 7.77 4.58 4.22 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 1.22 0.00 0.00 8 A 8.66 4.03 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 9 S 7.99 3.95 0.00 3.82 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 10 E 8.24 4.10 0.00 1.89 1.77 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 2.26 2.26 0.00 11 F 7.09 2.93 0.00 1.51 2.41 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 0.00 12 D 8.03 4.01 0.00 2.78 2.49 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 0.00 0.00 0.00 0.00 13 S 7.84 4.13 0.00 4.03 3.91 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 14 A 7.86 4.29 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 15 I 7.59 4.16 1.75 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.59 0.56 0.00 0.00 16 A 7.26 3.93 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 17 Q 8.41 3.23 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.52 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 18 D 8.27 4.50 0.00 2.64 2.87 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 19 K 7.87 3.78 0.00 2.14 1.87 0.00 1.64 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.52 7.81 20 L 8.26 5.19 0.00 1.75 1.51 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.47 4.30 2.47 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 1.45 0.00 0.00 1.22 0.00 0.00 22 V 8.64 4.13 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 0.74 0.00 0.00 0.30 0.00 0.00 23 V 8.57 4.86 2.61 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 0.64 0.00 0.00 0.88 0.00 0.00 24 D 8.39 5.85 0.00 2.75 2.48 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 25 F 8.54 4.67 0.00 2.79 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 26 Y 7.55 4.28 0.00 2.93 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 27 A 7.92 4.21 0.39 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 28 T 8.75 4.20 4.48 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 1.51 0.00 0.00 29 W 6.79 4.75 0.00 3.68 2.45 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 30 C 9.64 3.92 0.00 2.25 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.94 3.67 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 0.00 0.00 0.00 32 P 0.00 4.60 0.00 2.17 2.10 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 33 C 7.52 4.53 0.00 2.95 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 34 K 7.75 4.01 0.00 1.74 1.79 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.35 7.81 35 M 7.93 4.18 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.64 0.00 36 I 7.65 4.13 2.01 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 1.57 0.65 0.92 0.00 0.00 37 A 7.59 4.07 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 38 P 0.00 4.35 0.00 2.28 2.31 0.00 3.79 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.04 0.00 39 M 7.55 4.17 0.00 2.43 2.35 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.69 0.00 40 I 8.39 3.64 2.06 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 1.38 0.60 1.03 0.00 0.00 41 E 7.97 4.06 0.00 1.96 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 0.00 2.24 2.28 0.00 42 K 8.28 3.94 0.00 2.02 1.73 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.77 7.81 43 F 8.32 4.10 0.00 2.96 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 44 S 7.18 3.22 0.00 3.36 3.71 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 0.00 0.00 0.00 0.00 45 E 7.35 4.03 0.00 1.97 1.87 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 2.18 2.38 0.00 46 Q 7.66 4.04 0.00 1.70 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 7.08 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 47 Y 7.84 4.96 0.00 3.51 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 48 P 0.00 4.61 0.00 2.20 2.22 0.00 3.49 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 49 Q 8.34 4.11 0.00 2.19 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.89 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 50 A 8.53 4.78 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 51 D 8.34 4.66 0.00 2.86 2.47 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 52 F 8.92 4.87 0.00 2.88 3.06 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 0.00 0.00 0.00 0.00 53 Y 8.06 5.01 0.00 2.73 1.66 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 54 K 8.08 4.69 0.00 1.56 1.70 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.39 1.39 7.81 55 L 8.52 4.49 0.00 0.55 0.47 0.55 1.06 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 56 D 7.81 4.88 0.00 2.98 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.34 3.88 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 1.11 0.00 0.00 1.02 0.00 0.00 58 D 8.22 4.53 0.00 2.75 2.97 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 59 E 9.53 4.21 0.00 1.97 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 2.33 2.44 0.00 60 L 8.14 4.81 0.00 1.88 1.62 1.05 0.86 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 61 G 8.27 3.91 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 0.00 0.00 0.00 62 D 8.04 4.40 0.00 2.73 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 63 V 7.71 3.15 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 1.28 0.00 0.00 0.97 0.00 0.00 64 A 8.18 4.56 1.64 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 65 Q 7.79 3.91 0.00 2.33 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 66 K 8.80 3.89 0.00 1.79 2.10 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.68 1.45 7.81 67 N 7.72 4.56 0.00 2.59 2.76 0.00 0.00 7.31 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 68 E 7.95 3.71 0.00 2.12 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 0.00 2.24 2.22 0.00 69 V 8.48 4.19 1.87 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 0.81 0.00 0.00 0.72 0.00 0.00 70 S 8.43 4.81 0.00 3.96 3.98 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 0.00 0.00 0.00 71 A 7.72 4.36 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 72 M 7.96 4.50 0.00 1.13 1.34 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 2.11 0.00 73 P 0.00 4.87 0.00 2.63 2.19 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.96 0.00 74 T 7.88 4.74 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 1.15 0.00 0.00 75 L 8.23 5.04 0.00 1.71 1.44 0.86 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 76 L 9.03 4.76 0.00 1.84 1.07 -0.40 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.15 4.91 0.00 1.55 1.34 0.76 0.65 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 78 F 8.25 5.43 0.00 3.02 3.06 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 0.00 0.00 0.00 0.00 79 K 8.78 4.90 0.00 1.68 1.72 0.00 2.26 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.22 7.81 80 N 9.64 3.97 0.00 2.79 2.81 0.00 0.00 7.10 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 81 G 9.42 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.04 4.67 0.00 2.00 1.74 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.60 7.81 83 E 8.43 5.27 0.00 2.05 1.90 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 2.17 2.27 0.00 84 V 7.90 4.48 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 0.64 0.00 0.00 0.88 0.00 0.00 85 A 7.17 4.55 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 86 K 8.29 4.58 0.00 1.56 1.58 0.00 1.43 0.00 0.00 1.57 0.00 0.00 2.60 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.21 1.35 7.81 87 V 8.58 4.22 2.01 0.00 0.00 0.00 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 0.87 0.00 0.00 88 V 8.42 3.51 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 0.71 0.00 0.00 0.96 0.00 0.00 89 G 8.23 3.04 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 0.00 0.00 0.00 90 A 7.95 4.55 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.04 4.53 0.00 2.79 2.78 0.00 0.00 6.97 8.04 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 92 P 0.00 4.72 0.00 2.09 2.14 0.00 3.81 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.25 0.00 93 A 7.63 4.55 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 94 A 7.54 4.56 1.25 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 0.00 0.00 0.00 95 I 7.97 3.06 1.73 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.08 1.03 0.00 0.00 96 K 8.06 4.64 0.00 2.28 2.36 0.00 1.64 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.64 7.81 97 Q 8.10 4.05 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.95 0.00 0.00 0.00 0.00 0.00 2.51 2.57 0.00 98 A 8.79 3.98 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 99 I 7.21 3.75 0.95 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 1.14 0.75 0.32 0.00 0.00 100 A 7.77 4.43 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 0.00 101 A 7.88 3.73 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 0.00 102 N 7.52 4.38 0.00 2.64 2.81 0.00 0.00 6.80 7.14 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 0.00 103 A 7.39 4.32 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