NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3678 8.3349 115.3951 58.4953 65.8570 173.2904 2 H 4.0769 7.3259 115.9840 55.1376 29.2767 175.3320 3 G 3.9061 8.7259 111.6893 45.9440 0.0000 173.9630 4 S 4.3069 7.4776 114.1774 57.5586 61.6480 172.2520 5 H 4.9481 8.2310 123.8010 54.1328 31.3166 173.8309 6 E 4.6524 8.6100 122.1845 55.2663 31.3973 176.5543 7 T 4.2546 8.4501 110.9676 61.1071 71.1555 175.2861 8 D 4.4301 8.7020 121.8511 58.0531 40.8088 179.3404 9 E 4.0710 8.2426 118.0399 59.6606 29.5926 179.2331 10 E 4.0265 8.1130 118.5356 58.9926 29.5269 179.2896 11 F 4.1061 8.2438 121.0589 61.4849 39.5332 176.8515 12 D 4.5649 8.6130 118.3004 57.6779 40.5628 178.5034 13 A 4.0052 8.3293 121.1329 55.2003 18.4835 179.3333 14 R 3.5994 7.9704 116.2503 59.3524 29.8780 178.8603 15 W 4.0092 7.6982 118.0216 59.4640 29.0821 178.5885 16 V 3.8383 8.0218 117.0688 66.5121 31.1877 177.8923 17 T 4.0325 8.2726 115.4758 66.7769 68.3224 175.6316 18 Y 4.0165 7.7238 121.2708 61.1461 38.5028 178.5457 19 F 4.4731 8.4782 116.4385 59.8186 39.1730 176.6556 20 N 4.7885 7.9562 114.3707 52.3812 38.9173 174.9352 21 K 3.7806 7.2349 122.0629 56.0109 32.5481 175.2794 22 P 4.2450 0.0000 0.0000 65.8622 31.2410 176.7208 23 D 4.6891 7.9084 115.5993 52.7769 39.4941 175.9005 24 I 3.8582 7.4486 120.9925 61.6139 38.4283 175.3951 25 D 5.0178 8.6755 126.4136 50.8927 43.1840 177.0380 26 A 4.0272 8.5587 120.8790 55.4934 18.1426 179.0801 27 W 4.2396 8.6471 125.7704 61.3340 30.5343 177.7992 28 E 4.3740 8.6358 117.5581 59.3530 28.7282 179.1197 29 L 4.2010 8.1892 120.6229 58.1234 42.0773 179.3223 30 R 3.9188 8.4882 118.4404 59.0869 30.1368 178.4326 31 K 3.5564 8.0997 119.9318 59.8954 31.8944 178.0615 32 G 3.9576 8.5356 105.4795 48.7303 0.0000 175.2111 33 M 4.0328 8.2032 120.7425 57.9303 32.0020 178.7976 34 N 4.2157 8.1542 115.1055 56.2423 38.8503 177.2074 35 T 3.9704 7.6281 117.1451 66.0796 68.7881 176.8204 36 L 3.5868 7.6640 122.3417 57.8701 41.7384 178.9845 37 V 3.6878 7.6104 117.1820 65.0004 31.4820 177.6849 38 G 3.5700 7.4387 104.3944 46.3220 0.0000 173.5679 39 Y 4.6541 6.4972 118.3821 57.8253 38.9827 175.8880 40 D 4.6776 8.1480 122.4950 50.8128 39.6474 175.1010 41 L 4.4035 7.0097 119.1218 54.8992 42.6567 174.7102 42 V 4.0072 8.3773 120.6043 61.2052 32.3711 174.2688 43 P 4.4814 0.0000 0.0000 62.3740 31.9899 176.0861 44 E 4.1991 8.7992 120.8402 56.0906 30.1826 176.4266 45 P 4.2467 0.0000 0.0000 65.7817 31.1744 179.1355 46 K 4.0174 8.0861 117.0953 59.8915 32.6431 179.2990 47 I 3.9110 8.1004 121.3641 64.3089 37.1684 178.3363 48 I 3.5914 7.7170 120.1827 64.2193 36.8625 177.5766 49 D 4.2138 8.4340 119.0439 57.4048 41.0412 177.9344 50 A 3.9886 7.8295 120.9522 55.5435 18.3899 179.5233 51 A 3.5703 7.6310 118.4642 54.8051 18.1338 179.9168 52 L 3.8888 7.7095 117.8066 57.8373 41.5828 179.9189 53 R 3.8910 8.1565 117.7890 59.3769 30.0937 178.8842 54 A 4.0152 8.2008 120.5038 55.3994 18.1925 179.5611 55 C 4.0802 7.8295 114.9232 62.8798 28.1685 176.0400 56 R 3.8816 7.6387 120.3333 59.6679 29.4755 178.4358 57 R 3.9565 7.9035 116.4321 59.3077 30.1740 178.0525 58 L 4.3998 7.9149 115.3088 53.4277 42.5018 176.4092 59 N 4.1175 8.4981 115.7585 54.8327 36.4799 175.3629 60 D 4.7942 8.4383 117.2154 52.3827 42.4331 175.7972 61 F 4.3251 8.8536 128.4407 61.1065 39.6890 176.2523 62 A 3.7357 8.1324 119.8827 55.6500 18.0473 179.3585 63 S 3.9869 8.3643 112.7724 61.8919 63.0302 176.9496 64 A 3.8590 7.7342 122.9667 55.0461 18.0487 179.9821 65 V 3.4080 7.2885 116.5525 66.1463 31.6847 178.2282 66 R 4.4073 7.7236 119.2252 58.8989 29.8426 178.2450 67 I 3.6468 7.8284 119.7159 64.4182 36.7059 178.4144 68 L 4.1208 7.4664 118.3536 57.4663 41.4776 179.4110 69 E 3.8784 8.0736 118.8094 59.3198 29.4421 179.3181 70 V 3.4907 7.6943 118.1467 66.0145 31.3123 177.8570 71 V 3.5561 7.2576 116.0261 66.1867 31.7157 177.6104 72 K 3.7939 7.4197 117.7111 59.2218 31.8811 178.1038 73 D 4.2333 7.9812 118.3217 57.4913 40.9372 178.5796 74 K 3.9604 8.2923 117.4264 59.1317 32.2036 178.7350 75 A 4.1730 8.0123 120.3459 51.6318 18.3881 178.8912 76 G 3.8650 8.2448 105.8303 46.5161 0.0000 172.7728 77 P 4.5863 0.0000 0.0000 62.9655 31.6496 176.6286 78 H 4.9464 8.1014 119.7982 53.8619 27.1481 175.3726 79 K 3.9346 8.2926 121.4867 59.7724 32.2699 178.9777 80 E 4.1553 8.3031 117.6963 59.2629 29.1848 179.2000 81 I 3.7863 7.8187 119.9596 64.5648 37.2536 177.2613 82 Y 4.4957 8.2409 119.6528 60.9295 38.5293 176.5698 83 P 4.1007 0.0000 0.0000 65.5569 31.4587 177.9798 84 Y 4.0409 7.7535 117.2736 60.5914 38.7428 178.2091 85 V 3.3944 8.0569 119.1284 66.2784 31.4865 177.9267 86 I 3.5159 7.5640 118.3136 64.3078 37.0766 178.0013 87 Q 3.9556 7.7936 120.2476 59.2444 28.8284 177.9770 88 E 4.0007 7.5588 117.1924 57.9026 29.6635 178.0754 89 L 4.4228 7.3837 118.0929 54.8532 42.5242 178.4718 90 R 3.8414 7.5696 119.2297 59.2009 30.0127 176.1458 91 P 4.1758 0.0000 0.0000 66.5501 31.3499 178.5972 92 T 3.9133 7.8375 113.3987 66.5733 68.3278 176.5787 93 L 3.9852 8.1600 121.2388 57.8635 41.5677 179.2631 94 N 4.2887 8.6524 116.4962 56.6034 38.3155 176.5140 95 E 3.8892 8.5003 119.2002 59.9962 29.7583 178.6714 96 L 4.2166 8.1740 118.4361 55.0664 42.2256 177.0635 97 G 3.7345 7.6921 106.6442 46.5419 0.0000 174.0610 98 I 4.4767 7.9636 120.9793 60.0131 37.8535 176.5284 99 S 4.6682 9.0381 122.5668 58.0323 63.8214 175.0311 100 T 4.1789 8.3411 115.7573 61.0226 70.6710 174.0151 101 P 4.3185 0.0000 0.0000 65.9916 31.3211 178.9469 102 E 4.4850 8.0793 118.2552 58.8805 29.2891 178.9477 103 E 4.0076 7.8006 117.2039 59.4039 29.7155 178.9901 104 L 4.2952 8.2641 116.7355 55.0921 41.6695 177.9047 105 G 3.9187 7.8452 106.9372 46.3577 0.0000 174.4962 106 L 4.3031 8.3191 118.3048 55.1228 41.8768 177.1067 107 D 4.7334 7.9598 118.6908 52.8964 39.8134 175.6977 108 K 4.7780 7.7003 117.9656 55.3117 35.4892 176.4154 109 V 4.0046 8.1961 112.4367 61.7019 32.1833 175.6710 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 8.33 4.37 0.00 3.88 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 2 H 7.33 4.08 0.00 3.32 3.27 0.00 5.77 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 G 8.73 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 4 S 7.48 4.31 0.00 3.97 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 5 H 8.23 4.95 0.00 3.13 3.20 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.61 4.65 0.00 2.22 1.97 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 2.32 2.45 0.00 7 T 8.45 4.25 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 nan 0.00 0.00 8 D 8.70 4.43 0.00 2.73 2.83 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 9 E 8.24 4.07 0.00 2.09 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 2.43 2.51 0.00 10 E 8.11 4.03 0.00 2.26 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 0.00 2.35 2.34 0.00 11 F 8.24 4.11 0.00 3.16 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 12 D 8.61 4.56 0.00 2.88 2.86 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 13 A 8.33 4.01 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 14 R 7.97 3.60 0.00 1.82 1.81 0.00 2.77 0.00 0.00 3.03 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.38 0.00 15 W 7.70 4.01 0.00 3.50 3.30 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 16 V 8.02 3.84 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 0.92 0.00 0.00 1.18 0.00 0.00 17 T 8.27 4.03 4.38 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 1.20 0.00 0.00 18 Y 7.72 4.02 0.00 2.81 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 19 F 8.48 4.47 0.00 3.25 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 20 N 7.96 4.79 0.00 2.87 2.89 0.00 0.00 6.90 7.69 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 21 K 7.23 3.78 0.00 1.70 1.58 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.42 7.81 22 P 0.00 4.25 0.00 2.21 2.17 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 23 D 7.91 4.69 0.00 2.80 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 24 I 7.45 3.86 1.88 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.88 1.00 0.00 0.00 25 D 8.68 5.02 0.00 2.98 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 26 A 8.56 4.03 1.42 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 0.00 0.00 27 W 8.65 4.24 0.00 3.39 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.64 4.37 0.00 2.25 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 2.80 2.83 0.00 29 L 8.19 4.20 0.00 1.78 1.93 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.49 3.92 0.00 1.89 1.83 0.00 3.17 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 31 K 8.10 3.56 0.00 0.79 1.78 0.00 1.26 0.00 0.00 0.92 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.25 1.42 7.81 32 G 8.54 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 33 M 8.20 4.03 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.82 0.00 34 N 8.15 4.22 0.00 2.64 2.79 0.00 0.00 7.14 7.51 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 35 T 7.63 3.97 4.46 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 0.00 0.00 1.28 0.00 0.00 36 L 7.66 3.59 0.00 1.23 1.48 0.10 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.61 3.69 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 0.79 0.00 0.00 0.87 0.00 0.00 38 G 7.44 3.57 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 0.00 0.00 0.00 39 Y 6.50 4.65 0.00 3.06 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 40 D 8.15 4.68 0.00 2.62 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 41 L 7.01 4.40 0.00 1.74 1.55 1.08 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.38 4.01 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 0.89 0.00 0.00 0.94 0.00 0.00 43 P 0.00 4.48 0.00 2.08 1.98 0.00 3.75 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 1.98 2.12 0.00 44 E 8.80 4.20 0.00 2.12 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 2.52 2.57 0.00 45 P 0.00 4.25 0.00 2.15 2.05 0.00 3.72 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 46 K 8.09 4.02 0.00 2.03 2.11 0.00 1.57 0.00 0.00 1.88 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.72 1.62 7.81 47 I 8.10 3.91 2.02 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.23 1.11 0.00 0.00 48 I 7.72 3.59 1.85 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.02 0.86 0.00 0.00 49 D 8.43 4.21 0.00 2.82 2.84 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 50 A 7.83 3.99 1.50 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 0.00 0.00 0.00 51 A 7.63 3.57 0.54 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 0.00 0.00 52 L 7.71 3.89 0.00 1.86 1.69 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.16 3.89 0.00 2.01 1.98 0.00 3.39 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 54 A 8.20 4.02 1.46 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 0.00 0.00 0.00 0.00 0.00 55 C 7.83 4.08 0.00 3.26 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 56 R 7.64 3.88 0.00 1.90 2.22 0.00 3.20 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 57 R 7.90 3.96 0.00 2.00 2.03 0.00 3.22 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 58 L 7.91 4.40 0.00 1.64 1.72 1.02 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.50 4.12 0.00 2.81 2.88 0.00 0.00 6.62 8.60 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 60 D 8.44 4.79 0.00 2.57 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 61 F 8.85 4.33 0.00 3.17 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 62 A 8.13 3.74 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 63 S 8.36 3.99 0.00 3.90 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 64 A 7.73 3.86 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 65 V 7.29 3.41 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 0.89 0.00 0.00 0.34 0.00 0.00 66 R 7.72 4.41 0.00 1.84 1.84 0.00 3.23 0.00 0.00 3.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.53 0.00 67 I 7.83 3.65 1.96 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.94 0.80 0.00 0.00 68 L 7.47 4.12 0.00 1.94 1.83 0.93 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 69 E 8.07 3.88 0.00 2.17 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 2.28 2.46 0.00 70 V 7.69 3.49 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 0.88 0.00 0.00 0.87 0.00 0.00 71 V 7.26 3.56 2.34 0.00 0.00 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 1.02 0.00 0.00 72 K 7.42 3.79 0.00 0.79 1.44 0.00 0.67 0.00 0.00 1.13 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.11 0.88 7.81 73 D 7.98 4.23 0.00 2.85 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 74 K 8.29 3.96 0.00 1.85 1.86 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.57 7.81 75 A 8.01 4.17 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 76 G 8.24 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 77 P 0.00 4.59 0.00 2.14 2.09 0.00 3.68 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.84 0.00 78 H 8.10 4.95 0.00 3.36 3.44 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.29 3.93 0.00 1.76 1.96 0.00 1.66 0.00 0.00 1.89 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.58 7.81 80 E 8.30 4.16 0.00 2.06 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 2.40 2.48 0.00 81 I 7.82 3.79 1.97 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 1.43 0.61 1.02 0.00 0.00 82 Y 8.24 4.50 0.00 2.98 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 83 P 0.00 4.10 0.00 2.23 2.07 0.00 3.91 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 84 Y 7.75 4.04 0.00 3.11 3.16 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 0.00 0.00 0.00 85 V 8.06 3.39 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 0.99 0.00 0.00 1.16 0.00 0.00 86 I 7.56 3.52 1.50 0.00 0.00 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 0.51 -0.01 0.73 0.00 0.00 87 Q 7.79 3.96 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.84 0.00 0.00 0.00 0.00 0.00 2.17 2.30 0.00 88 E 7.56 4.00 0.00 1.73 1.81 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 1.53 1.82 0.00 89 L 7.38 4.42 0.00 1.73 1.62 0.87 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.57 3.84 0.00 1.93 1.97 0.00 3.28 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 91 P 0.00 4.18 0.00 2.12 2.08 0.00 3.56 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 92 T 7.84 3.91 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 1.20 0.00 0.00 93 L 8.16 3.99 0.00 1.82 1.71 0.87 0.62 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 94 N 8.65 4.29 0.00 2.84 2.86 0.00 0.00 6.71 7.53 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 95 E 8.50 3.89 0.00 1.95 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 0.00 2.34 2.38 0.00 96 L 8.17 4.22 0.00 1.71 1.74 0.93 0.80 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 97 G 7.69 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 98 I 7.96 4.48 1.92 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 1.44 0.68 0.92 0.00 0.00 99 S 9.04 4.67 0.00 4.14 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 0.00 100 T 8.34 4.18 4.30 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 1.26 0.00 0.00 101 P 0.00 4.32 0.00 2.21 2.15 0.00 3.73 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 102 E 8.08 4.48 0.00 2.12 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 2.52 2.39 0.00 103 E 7.80 4.01 0.00 2.23 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 2.36 2.37 0.00 104 L 8.26 4.30 0.00 1.64 1.78 1.15 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 105 G 7.85 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 0.00 106 L 8.32 4.30 0.00 1.77 1.71 0.92 0.95 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 0.00 107 D 7.96 4.73 0.00 2.82 2.89 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 0.00 108 K 7.70 4.78 0.00 1.83 1.78 0.00 1.51 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.41 7.81 109 V 8.20 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 0.72 0.00 0.00 0.92 0.00 0.00