NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4623 8.1933 116.7951 58.6883 64.4126 174.7211 2 N 4.4340 7.9067 117.5972 53.9655 39.5548 175.6974 3 I 4.0873 8.3727 119.3334 62.3175 39.9036 175.7711 4 I 4.2185 7.1316 118.6761 61.4941 37.0194 176.0795 5 K 4.3920 8.0628 120.4457 58.0157 34.1375 177.9455 6 Q 3.9311 8.0164 119.1991 58.8877 29.0550 178.3325 7 L 3.9744 7.7322 117.8221 57.0652 42.7357 178.0490 8 E 4.1131 7.9602 118.6332 59.2389 29.6932 178.5531 9 Q 4.1378 8.2826 116.7301 57.9020 28.5801 177.1733 10 E 4.1758 7.5566 120.6856 58.1055 29.7115 176.4616 11 Q 4.4796 7.8577 114.3709 55.8872 30.8926 175.0172 12 M 4.0794 7.8244 119.7250 54.4873 31.9998 176.6374 13 K 4.3417 8.5688 123.3415 57.0235 33.5935 176.3054 14 Q 4.6752 8.4141 115.7420 55.9233 29.6259 176.2971 15 D 4.6886 8.0958 119.0866 54.8154 42.6698 177.1032 16 V 3.6121 7.6821 118.9609 62.2871 31.5485 174.0035 17 P 4.5772 0.0000 0.0000 61.3658 32.5248 175.5352 18 S 4.4567 8.3241 114.2705 57.9263 62.4677 173.5122 19 F 3.7810 8.4190 127.1727 54.5992 39.2183 171.4294 20 R 3.8753 8.2331 129.8775 55.0202 30.0663 173.5058 21 P 4.4438 0.0000 0.0000 66.3018 31.1243 174.5723 22 G 3.5222 8.0163 112.6403 45.1291 0.0000 172.3703 23 D 5.0755 7.6686 124.4547 54.0615 40.5916 177.9156 24 T 5.1675 8.2643 108.8367 61.8064 70.8756 175.9635 25 V 3.1070 7.1726 109.5443 60.8398 28.1906 173.5497 26 E 4.2400 8.2677 130.4400 56.0855 30.7860 175.5562 27 V 4.4844 8.2310 126.7111 60.5894 32.7386 174.6687 28 K 5.1145 7.9258 126.2546 55.9671 32.9225 177.1922 29 V 5.0686 8.2006 116.0816 57.9517 35.9995 175.2403 30 W 5.6210 9.0982 123.8030 57.0596 29.2873 176.0688 31 V 4.3525 8.4057 117.4275 60.7104 33.8046 175.9592 32 V 3.2654 8.1228 115.1870 61.7919 29.0389 172.1286 33 E 3.7766 8.5482 124.9050 59.7427 30.0781 177.4072 34 G 4.2435 7.9728 108.1465 45.8736 0.0000 173.2061 35 S 4.6315 8.0347 111.2054 57.3530 66.7212 173.7496 36 K 4.6264 7.8718 119.6652 54.8194 35.0068 176.2079 37 K 4.7333 8.5426 123.5493 55.7000 33.9812 175.5790 38 R 4.3628 7.8188 117.1418 56.4766 31.7730 172.8218 39 L 5.2998 8.6424 118.9017 53.7878 43.7592 176.2140 40 Q 4.7124 8.8003 120.9488 54.3681 32.8096 174.5408 41 A 4.5220 8.7427 126.7811 51.7290 20.3572 177.1681 42 F 4.5533 8.1945 117.1693 58.2765 41.4506 170.8008 43 E 4.3978 8.8118 122.7135 54.1970 29.2451 175.9168 44 G 4.4474 8.5356 118.7574 44.7197 0.0000 169.8298 45 V 5.0554 8.7576 121.0106 59.6963 35.5519 176.0914 46 V 4.4719 8.5884 127.5210 63.3219 31.6744 175.6233 47 I 4.4120 8.8301 121.5827 60.6033 40.7216 175.3060 48 A 4.8383 7.9341 123.8222 49.7864 22.0148 174.7902 49 I 4.7560 8.2540 122.1507 58.8865 41.2082 173.7259 50 R 4.6938 7.9227 118.1118 55.8737 29.9253 177.1035 51 N 4.2464 9.5537 118.5389 54.9946 34.7289 174.7304 52 R 4.7329 8.8500 115.5037 56.2222 32.9243 177.5425 53 G 3.8749 7.7268 115.5123 46.6844 0.0000 176.4073 54 L 3.7575 8.6031 126.2238 57.4300 41.9519 176.5293 55 H 4.6318 8.2606 114.0343 56.0668 28.9812 175.4727 56 S 4.4727 7.7080 116.6563 58.9535 64.3326 173.2814 57 A 4.6917 7.9247 119.9300 51.6675 21.8408 175.8252 58 F 5.3597 7.8823 117.1134 55.5549 41.6670 174.5805 59 T 4.9230 9.2007 115.8028 61.7349 71.7846 173.6978 60 V 4.6470 8.4410 125.0768 61.2871 34.4381 173.8920 61 R 4.6855 9.1845 130.1070 55.6299 30.9412 175.8700 62 K 4.0291 8.4696 125.6774 57.5695 34.0560 173.7846 63 I 3.1898 8.0613 126.9623 60.9861 33.5682 172.3342 64 S 4.5160 7.7615 116.6530 57.0411 64.7197 171.5685 65 N 4.2442 8.3928 121.7163 53.0302 36.8527 174.7352 66 G 3.9213 7.1884 106.1052 44.9556 0.0000 172.3692 67 E 4.5987 7.5959 117.5081 52.7067 32.7600 175.9021 68 G 3.8413 8.4137 111.9489 45.6196 0.0000 173.8289 69 V 4.2853 7.8608 118.5474 61.3671 33.5974 173.6702 70 E 4.3558 8.7883 127.6143 56.6874 30.7582 177.5664 71 R 4.1125 8.4921 123.3352 55.1519 32.6792 174.1307 72 V 4.0272 7.9922 120.6336 60.8415 32.3565 175.9825 73 F 4.2232 8.3356 125.4780 56.2343 40.9086 175.7092 74 Q 4.2518 8.5278 121.9408 55.4441 28.4803 176.4516 75 T 3.9877 8.3227 120.8590 65.0218 67.4498 174.4909 76 H 4.7261 7.9350 114.8030 55.2254 29.3504 174.9180 77 S 4.2878 7.9559 115.3994 57.7775 62.6485 172.3000 78 P 4.2816 0.0000 0.0000 64.9372 31.9879 178.1033 79 V 3.2372 7.6259 111.0651 62.1965 31.5130 177.7828 80 V 3.7161 7.1178 119.9015 62.7793 33.4604 178.2744 81 D 4.0159 7.8565 117.3498 55.3566 40.9508 176.1736 82 S 4.5477 8.5079 115.6999 57.3203 66.0174 172.4977 83 I 4.1969 7.5684 114.8304 61.1260 39.2735 173.4706 84 S 4.5888 8.0790 132.1000 58.8191 65.9203 175.1432 85 V 4.3253 7.9992 116.1780 61.8071 31.7582 173.0019 86 K 3.9467 8.6125 127.1349 59.6160 32.1856 176.8515 87 R 4.7665 8.2122 115.7070 54.5351 33.9968 173.7375 88 R 4.8792 8.5022 119.2813 54.2206 32.9848 175.4645 89 G 4.6836 10.1608 110.9086 43.5718 0.0000 173.4188 90 A 4.7307 8.3171 123.9511 50.4552 17.4718 176.2828 91 V 3.6573 8.0787 121.2518 64.7429 32.9535 175.7164 92 R 3.7263 7.8517 117.2857 54.6774 27.2290 174.7464 93 K 4.2125 7.3681 117.2941 55.4360 34.6455 173.0524 94 A 3.9122 8.3401 127.6684 53.3346 18.7077 177.0762 95 K 4.3539 7.8697 115.3308 54.0908 34.9864 177.7134 96 L 4.5784 8.0222 124.7031 54.3869 41.1388 177.8324 97 Y 4.4710 7.5018 116.9706 60.1786 38.6991 177.5179 98 Y 4.4742 8.0172 116.3136 58.1981 38.4548 176.2520 99 L 4.0835 7.0552 119.4808 56.2555 42.1545 178.3896 100 R 4.1878 7.5179 115.9835 57.2936 29.7325 176.8577 101 E 4.5327 7.8521 118.1080 55.1135 30.8281 174.4311 102 R 4.5349 7.7382 121.7873 52.6756 37.0812 177.2629 103 T 3.6420 8.2738 109.7122 63.2956 68.0985 171.5116 104 G 4.0411 8.3069 110.3927 47.3965 0.0000 175.1581 105 K 4.0490 8.8732 119.1889 56.4251 30.6703 176.4803 106 A 4.4992 7.6408 119.7020 53.1465 20.2005 177.0284 107 A 3.8383 8.1213 119.1415 51.9036 18.8162 179.7552 108 R 3.4943 7.1190 117.1398 56.3084 26.7671 176.7170 109 I 3.7399 7.8949 125.9525 61.9386 37.0285 178.6070 110 K 4.2603 7.6954 125.3093 56.9293 36.6262 174.5203 111 E 4.6862 8.5211 118.7968 54.5779 32.0176 176.2938 112 R 3.8089 8.9673 127.3526 55.5244 29.1567 173.9029 113 L 3.6999 9.1399 121.4261 54.4114 44.2831 172.8994 114 N 4.6129 8.6188 121.3740 53.5062 39.2804 174.1296 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 8.19 4.46 0.00 3.90 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 2 N 7.91 4.43 0.00 2.86 2.85 0.00 0.00 6.53 6.07 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 3 I 8.37 4.09 1.87 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 1.41 1.29 0.91 0.00 0.00 4 I 7.13 4.22 1.88 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 1.19 0.66 0.99 0.00 0.00 5 K 8.06 4.39 0.00 1.86 1.84 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.34 7.81 6 Q 8.02 3.93 0.00 2.32 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.54 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 7 L 7.73 3.97 0.00 1.71 1.73 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 8 E 7.96 4.11 0.00 2.15 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 2.35 2.35 0.00 9 Q 8.28 4.14 0.00 2.25 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.59 2.30 0.00 10 E 7.56 4.18 0.00 2.21 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 2.32 2.35 0.00 11 Q 7.86 4.48 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.65 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 12 M 7.82 4.08 0.00 1.95 2.07 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 2.50 2.15 0.00 13 K 8.57 4.34 0.00 1.87 1.84 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.43 1.40 7.81 14 Q 8.41 4.68 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.93 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 15 D 8.10 4.69 0.00 2.63 2.68 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 0.00 0.00 0.00 0.00 16 V 7.68 3.61 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 0.90 0.00 0.00 0.93 0.00 0.00 17 P 0.00 4.58 0.00 1.98 1.95 0.00 3.68 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 1.90 2.01 0.00 18 S 8.32 4.46 0.00 4.01 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 19 F 8.42 3.78 0.00 2.85 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 20 R 8.23 3.88 0.00 2.10 2.01 0.00 3.27 0.00 0.00 3.40 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 21 P 0.00 4.44 0.00 2.22 2.12 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 22 G 8.02 3.52 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 0.00 23 D 7.67 5.08 0.00 2.75 2.51 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 24 T 8.26 5.17 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 1.24 0.00 0.00 25 V 7.17 3.11 1.69 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 0.34 0.00 0.00 0.87 0.00 0.00 26 E 8.27 4.24 0.00 2.04 1.78 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 2.38 2.33 0.00 27 V 8.23 4.48 1.67 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 0.09 0.00 0.00 0.80 0.00 0.00 28 K 7.93 5.11 0.00 1.69 1.77 0.00 1.56 0.00 0.00 1.57 0.00 0.00 3.14 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.52 1.35 7.81 29 V 8.20 5.07 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 1.51 0.00 0.00 1.15 0.00 0.00 30 W 9.10 5.62 0.00 3.27 2.99 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 31 V 8.41 4.35 2.28 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 0.87 0.00 0.00 1.00 0.00 0.00 32 V 8.12 3.27 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 0.72 0.00 0.00 0.92 0.00 0.00 33 E 8.55 3.78 0.00 2.01 1.86 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 2.34 2.34 0.00 34 G 7.97 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 0.00 0.00 0.00 0.00 35 S 8.03 4.63 0.00 3.79 3.83 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 0.00 0.00 0.00 36 K 7.87 4.63 0.00 1.75 1.85 0.00 1.49 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.42 7.81 37 K 8.54 4.73 0.00 1.44 1.51 0.00 1.45 0.00 0.00 1.40 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.30 7.81 38 R 7.82 4.36 0.00 1.88 2.02 0.00 2.97 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 39 L 8.64 5.30 0.00 1.63 1.73 1.34 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.80 4.71 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 41 A 8.74 4.52 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 42 F 8.19 4.55 0.00 3.25 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 43 E 8.81 4.40 0.00 1.87 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 2.25 2.32 0.00 44 G 8.54 4.45 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 0.00 45 V 8.76 5.06 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 1.40 0.00 0.00 0.95 0.00 0.00 46 V 8.59 4.47 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 1.12 0.00 0.00 1.00 0.00 0.00 47 I 8.83 4.41 1.86 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 1.45 1.02 0.92 0.00 0.00 48 A 7.93 4.84 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 49 I 8.25 4.76 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.77 0.91 0.00 0.00 50 R 7.92 4.69 0.00 1.75 0.95 0.00 3.07 0.00 0.00 3.02 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.52 0.00 51 N 9.55 4.25 0.00 2.90 2.98 0.00 0.00 6.53 7.66 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 52 R 8.85 4.73 0.00 1.72 1.87 0.00 3.45 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 53 G 7.73 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 54 L 8.60 3.76 0.00 1.41 1.43 0.76 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 55 H 8.26 4.63 0.00 3.23 3.31 0.00 5.72 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 56 S 7.71 4.47 0.00 3.76 3.82 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 57 A 7.92 4.69 1.23 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 0.00 0.00 0.00 58 F 7.88 5.36 0.00 3.44 3.01 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 0.00 0.00 0.00 0.00 59 T 9.20 4.92 4.37 0.00 0.00 0.00 0.00 0.00 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 60 V 8.44 4.65 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 1.29 0.00 0.00 1.39 0.00 0.00 61 R 9.18 4.69 0.00 1.96 1.81 0.00 3.12 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 62 K 8.47 4.03 0.00 1.80 1.67 0.00 1.06 0.00 0.00 1.17 0.00 0.00 2.75 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.21 1.47 7.81 63 I 8.06 3.19 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 1.30 0.80 0.90 0.00 0.00 64 S 7.76 4.52 0.00 3.71 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 65 N 8.39 4.24 0.00 2.88 2.77 0.00 0.00 6.70 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 66 G 7.19 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 67 E 7.60 4.60 0.00 1.95 1.79 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 2.27 2.21 0.00 68 G 8.41 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 69 V 7.86 4.29 2.15 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 1.04 0.00 0.00 0.93 0.00 0.00 70 E 8.79 4.36 0.00 1.92 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 2.37 2.36 0.00 71 R 8.49 4.11 0.00 1.62 1.11 0.00 2.77 0.00 0.00 2.25 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.99 0.00 72 V 7.99 4.03 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 0.68 0.00 0.00 0.79 0.00 0.00 73 F 8.34 4.22 0.00 1.55 2.58 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 74 Q 8.53 4.25 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 75 T 8.32 3.99 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 1.13 0.00 0.00 76 H 7.94 4.73 0.00 3.29 3.28 0.00 5.76 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 7.96 4.29 0.00 3.81 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 78 P 0.00 4.28 0.00 2.09 2.23 0.00 3.72 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 79 V 7.63 3.24 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 0.83 0.00 0.00 0.93 0.00 0.00 80 V 7.12 3.72 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 0.67 0.00 0.00 1.03 0.00 0.00 81 D 7.86 4.02 0.00 2.33 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 0.00 0.00 0.00 82 S 8.51 4.55 0.00 3.78 3.74 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 0.00 0.00 0.00 83 I 7.57 4.20 1.75 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.54 0.84 0.00 0.00 84 S 8.08 4.59 0.00 3.76 3.65 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 0.00 0.00 0.00 0.00 85 V 8.00 4.33 1.82 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 0.52 0.00 0.00 0.84 0.00 0.00 86 K 8.61 3.95 0.00 1.71 1.90 0.00 1.53 0.00 0.00 1.77 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.48 7.81 87 R 8.21 4.77 0.00 1.69 1.75 0.00 3.20 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 88 R 8.50 4.88 0.00 1.75 1.76 0.00 3.10 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 89 G 10.16 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.32 4.73 1.23 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 0.00 0.00 0.00 91 V 8.08 3.66 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 0.94 0.00 0.00 1.00 0.00 0.00 92 R 7.85 3.73 0.00 1.99 1.96 0.00 3.36 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 93 K 7.37 4.21 0.00 1.73 1.73 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.31 1.50 7.81 94 A 8.34 3.91 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 95 K 7.87 4.35 0.00 1.76 1.13 0.00 1.83 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.51 7.81 96 L 8.02 4.58 0.00 1.72 1.37 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 7.50 4.47 0.00 3.18 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 98 Y 8.02 4.47 0.00 3.13 3.13 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 99 L 7.06 4.08 0.00 1.64 1.57 0.72 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.52 4.19 0.00 1.81 2.01 0.00 3.33 0.00 0.00 3.51 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.97 0.00 101 E 7.85 4.53 0.00 1.86 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 2.27 2.34 0.00 102 R 7.74 4.53 0.00 1.74 1.75 0.00 3.65 0.00 0.00 3.28 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 103 T 8.27 3.64 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 0.00 104 G 8.31 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 0.00 0.00 0.00 105 K 8.87 4.05 0.00 1.95 2.01 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.37 7.81 106 A 7.64 4.50 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 0.00 107 A 8.12 3.84 1.27 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 0.00 108 R 7.12 3.49 0.00 1.91 2.25 0.00 3.23 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 109 I 7.89 3.74 1.89 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 1.43 0.47 0.97 0.00 0.00 110 K 7.70 4.26 0.00 1.82 1.71 0.00 1.92 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.39 7.81 111 E 8.52 4.69 0.00 1.87 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 2.32 0.00 112 R 8.97 3.81 0.00 1.89 1.68 0.00 3.39 0.00 0.00 3.25 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 113 L 9.14 3.70 0.00 1.81 1.65 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.62 4.61 0.00 2.69 2.64 0.00 0.00 6.94 7.56 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