NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3229 8.3049 120.3483 54.9075 33.2550 175.4088 2 L 3.9413 8.3951 125.7848 54.1289 40.3434 174.7340 3 T 3.8633 8.6711 119.1880 64.6773 68.3707 173.5724 4 D 4.5641 7.6682 120.0087 50.7112 42.8922 173.3292 5 P 4.2052 0.0000 0.0000 65.6533 31.4850 178.2810 6 I 3.4864 7.7375 117.5373 64.2624 37.0414 178.2341 7 A 3.8719 10.0644 121.6190 55.0040 18.1280 178.9024 8 D 4.2323 8.3140 117.0295 58.0324 41.2184 177.8790 9 M 3.8859 8.1302 118.4381 58.8522 32.0821 177.7648 10 L 3.8207 8.0861 118.6976 58.3635 41.7933 180.0736 11 T 3.7432 7.9224 115.1228 66.6239 68.4146 176.5995 12 R 4.0284 8.0562 120.2740 59.5830 30.1384 178.8498 13 I 3.5827 7.7106 119.0793 64.4151 37.2407 178.2754 14 R 3.7356 8.0324 119.5094 59.6304 29.5140 178.2346 15 N 4.2587 8.8714 116.9261 56.1710 38.5449 177.2278 16 A 3.9022 8.5853 122.7060 55.5073 18.5269 179.8830 17 T 3.9972 8.0341 108.2066 64.8152 68.6597 176.9818 18 R 3.8922 7.7216 119.5878 57.7852 30.0184 177.4730 19 V 4.4856 6.8524 111.5172 61.4461 32.3251 174.8389 20 Y 3.5494 7.2147 113.4610 56.9939 36.0923 171.8290 21 K 4.0068 7.8501 117.5213 57.0249 32.8791 176.9701 22 E 4.2000 8.7983 123.4275 58.8666 30.3289 176.9386 23 S 4.8353 7.6206 112.7691 58.4300 64.8451 171.9225 24 T 4.5588 7.4891 120.5263 62.6018 69.7705 173.0605 25 D 5.1737 8.4106 128.9323 53.7944 43.1004 176.2636 26 V 4.3324 8.2685 113.0592 60.3195 35.0597 170.4285 27 P 3.7144 0.0000 0.0000 62.5579 31.5643 175.9351 28 A 4.2832 8.2313 126.8486 52.0609 19.3176 177.1183 29 S 4.4572 8.3794 111.0738 56.2699 65.4986 176.3721 30 R 3.9050 8.6724 123.9572 59.8324 29.8355 178.5305 31 F 4.4764 8.3869 119.2869 61.7328 39.1793 177.3583 32 K 3.6508 8.0526 117.6981 59.3535 31.8668 178.9107 33 E 3.5800 8.4357 119.9393 59.1679 29.5873 178.5970 34 E 4.0147 8.8364 119.0418 59.4997 29.5796 179.4705 35 I 3.7384 7.7208 119.5510 64.4555 37.2021 178.2188 36 L 3.8334 7.9042 120.1286 57.8499 41.3000 179.4181 37 R 4.0508 7.9832 118.3719 59.8701 29.9888 178.5977 38 I 3.7592 7.4175 117.7994 64.2778 37.0658 178.1462 39 L 4.1431 8.0164 119.6891 58.5044 41.2789 179.1301 40 A 4.2677 8.8910 120.9223 54.5014 18.0982 179.2948 41 R 3.8836 8.2851 117.0303 59.6727 30.4286 178.0222 42 E 4.2219 8.6339 114.9488 55.9443 29.5534 176.8292 43 G 3.7878 9.3163 107.0764 46.7925 0.0000 175.1130 44 F 4.7114 8.2480 120.0787 57.9226 39.8287 176.6839 45 I 4.6980 7.5206 112.5598 58.7046 40.3211 174.8924 46 K 4.0315 8.3074 123.6641 58.4214 32.6957 177.4888 47 G 3.9226 7.4291 104.9912 46.7873 0.0000 170.2726 48 Y 5.7985 7.6198 116.7736 57.1714 40.4142 173.7131 49 E 4.7111 8.6760 118.2374 54.3296 33.5398 174.8651 50 R 4.6691 8.7121 121.0684 56.6708 30.8398 176.0614 51 V 4.6510 8.7924 122.2545 61.4279 35.9545 173.2155 52 D 5.5026 8.7389 123.5619 52.5265 43.1559 176.1407 53 V 4.1904 8.7712 122.7547 62.1120 33.8881 174.6651 54 D 4.4029 10.2314 124.9884 55.1503 39.6247 173.8246 55 G 4.0985 8.6969 106.4941 44.2996 0.0000 174.3060 56 K 4.6732 7.9866 118.8623 53.3674 34.6270 173.6529 57 P 4.8225 0.0000 0.0000 63.7754 32.5491 174.9307 58 Y 5.0324 9.4764 121.1589 56.4864 42.8479 173.9837 59 L 4.7626 8.7832 119.5004 53.5996 45.4747 176.3811 60 R 4.3154 8.9516 124.6651 56.0537 31.5044 176.0580 61 V 4.6881 8.6691 124.4248 61.3280 34.1081 174.1326 62 Y 4.6141 9.0881 127.2031 56.8924 38.3141 175.4807 63 L 4.4758 8.5462 124.8549 54.4770 42.8626 176.8475 64 K 4.6608 7.9258 120.8662 55.0966 34.9514 174.7512 65 Y 4.8346 8.7570 123.2728 56.0187 42.5801 176.1610 66 G 4.2960 8.9036 108.5007 45.7132 0.0000 171.2314 67 P 4.9015 0.0000 0.0000 61.2184 33.9053 175.2292 68 R 4.3634 8.4889 120.1075 57.0137 30.8566 175.0675 69 R 4.8588 8.3795 121.3878 54.7027 33.8225 174.9429 70 Q 4.4652 8.7057 118.0706 55.3290 31.2344 177.6519 71 G 3.7436 8.4481 107.2148 45.5094 0.0000 171.8746 72 P 4.2931 0.0000 0.0000 63.2633 32.0360 175.7131 73 D 4.1954 8.4862 115.1421 55.0033 38.5967 171.3408 74 P 4.4687 0.0000 0.0000 62.5073 32.2812 176.9627 75 R 3.7466 7.7779 118.6695 56.4521 30.2336 174.8486 76 P 5.2231 0.0000 0.0000 62.2198 32.3814 175.5648 77 E 4.4000 8.7864 122.2451 56.0131 30.9768 176.2200 78 Q 4.5142 8.6638 124.4333 55.9124 29.6581 176.3881 79 V 3.9448 8.1705 120.1233 64.6008 32.2201 176.6248 80 I 4.2379 7.1309 121.1251 59.7839 35.6018 174.7442 81 H 4.2915 8.3595 121.0966 58.4865 29.4463 175.3597 82 H 4.3574 7.4344 117.4300 54.7869 33.3374 172.6066 83 I 4.5454 7.4186 124.0127 59.9354 40.5094 173.5816 84 R 4.5538 8.3756 129.0096 54.7328 33.7238 174.4971 85 R 3.8700 8.5799 124.6716 56.8408 30.5568 174.7066 86 I 4.3839 8.5999 119.6925 63.0101 39.1156 176.0004 87 S 4.2713 7.9069 117.2943 58.5367 62.9459 173.1856 88 K 4.6197 8.4604 124.3188 54.0473 36.2542 174.3292 89 P 4.2939 0.0000 0.0000 63.9737 31.5290 175.7496 90 G 3.9565 8.6228 105.8046 45.0796 0.0000 173.9710 91 R 5.5276 7.2583 129.0629 56.7847 31.5701 173.6491 92 R 4.0613 7.2755 118.1709 56.1124 31.5062 177.1945 93 V 4.1340 7.7253 119.9743 61.5478 34.0534 173.7315 94 Y 5.4091 8.4284 125.1794 56.5774 40.6935 175.9083 95 V 4.7070 8.8210 114.8048 59.7443 36.3683 175.3581 96 G 3.9821 9.7229 114.3130 44.8869 0.0000 175.0347 97 V 3.3348 8.4315 120.6314 64.3525 31.1691 177.6722 98 K 4.1514 8.0245 118.0730 58.0723 32.1979 177.1572 99 E 4.4877 8.9133 117.8016 55.7756 29.8072 175.8883 100 I 3.8441 7.6692 121.2431 60.2917 37.1756 174.2702 101 P 4.4414 0.0000 0.0000 63.0476 31.6447 176.7756 102 R 4.4051 8.0141 119.1166 53.5108 29.7804 174.5840 103 V 3.4448 8.1776 120.5481 64.5338 32.6352 176.3305 104 R 3.3762 9.1461 126.8515 59.1730 27.3572 176.1964 105 R 3.7680 8.8241 107.1558 57.0169 28.8315 177.2056 106 G 4.2119 8.2062 107.4195 45.8151 0.0000 176.5345 107 L 4.1206 7.8530 118.3887 56.3956 41.6951 176.3969 108 G 4.5287 7.4569 105.4948 43.4224 0.0000 171.0822 109 I 4.9794 9.1811 111.7071 59.1684 41.9969 174.0180 110 A 4.7772 8.6222 122.3203 50.2184 22.3636 175.0549 111 I 4.4920 8.2375 122.8686 59.7642 39.0719 175.5951 112 L 4.6928 8.3774 127.6057 53.7835 44.4257 176.0400 113 S 4.9272 8.9748 114.7891 57.0241 65.1119 172.8472 114 T 5.2109 8.8977 117.4035 59.3518 71.9253 175.2934 115 S 4.2501 8.8645 115.8232 60.5148 63.0785 174.6339 116 K 4.3703 7.6239 120.8382 56.3402 32.4578 177.6011 117 G 3.8314 7.8928 109.4912 44.6852 0.0000 172.6178 118 V 4.7187 8.0652 118.4097 61.8144 32.4792 175.5843 119 L 4.7312 8.4013 126.2728 54.5847 44.2357 174.6881 120 T 4.5566 8.6798 111.4097 61.7364 69.9499 174.8788 121 D 4.3510 8.7955 121.2491 56.7221 39.2003 178.7008 122 R 3.9815 8.0595 119.3545 58.9777 30.1062 178.6120 123 E 3.9460 8.1406 117.6364 59.4068 29.5140 179.3022 124 A 4.0052 8.3933 121.0875 55.2531 18.3909 179.6952 125 R 3.8433 8.8227 118.2466 59.1996 29.9098 178.4839 126 K 3.8952 8.0567 118.7626 59.6342 32.3940 178.3352 127 L 4.2257 7.9850 115.6713 54.4165 42.5455 176.8650 128 G 4.0273 8.0532 107.6880 46.0007 0.0000 173.2437 129 V 4.4753 7.8596 108.7190 59.9670 36.3650 174.5258 130 G 4.5036 7.4083 109.2898 43.1259 0.0000 171.4084 131 G 4.0974 7.6578 101.9897 46.3814 0.0000 171.6331 132 E 4.5580 8.2181 122.6187 56.2239 30.3615 178.1371 133 L 4.5419 9.0855 131.7095 54.5287 40.4098 176.5802 134 I 3.6054 8.4430 119.3225 64.2095 37.7433 177.6210 135 C 5.0525 8.0044 125.4828 57.6772 34.1752 174.0176 136 E 4.8202 8.4018 117.5567 56.5473 31.5337 175.3654 137 V 4.4635 7.9642 128.4187 60.9152 33.9048 175.6642 138 W 4.8854 8.4375 123.4693 57.1910 28.1498 174.1367 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 8.30 4.32 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 L 8.40 3.94 0.00 1.74 1.63 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.67 3.86 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 1.20 0.00 0.00 4 D 7.67 4.56 0.00 2.66 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 5 P 0.00 4.21 0.00 2.19 2.07 0.00 3.67 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 2.13 2.18 0.00 6 I 7.74 3.49 1.91 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.66 0.69 0.00 0.00 7 A 10.06 3.87 1.37 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 0.00 0.00 0.00 8 D 8.31 4.23 0.00 2.81 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 9 M 8.13 3.89 0.00 2.16 1.92 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 10 L 8.09 3.82 0.00 1.60 1.59 0.80 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.92 3.74 4.35 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 1.15 0.00 0.00 12 R 8.06 4.03 0.00 1.90 1.96 0.00 3.13 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 13 I 7.71 3.58 1.93 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.52 0.79 0.00 0.00 14 R 8.03 3.74 0.00 1.80 1.96 0.00 2.99 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 15 N 8.87 4.26 0.00 2.78 2.81 0.00 0.00 6.99 7.42 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 16 A 8.59 3.90 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 17 T 8.03 4.00 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 1.06 0.00 0.00 18 R 7.72 3.89 0.00 1.91 1.99 0.00 3.02 0.00 0.00 3.44 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 19 V 6.85 4.49 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 0.72 0.00 0.00 1.02 0.00 0.00 20 Y 7.21 3.55 0.00 2.98 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 21 K 7.85 4.01 0.00 1.86 1.86 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.67 1.54 7.81 22 E 8.80 4.20 0.00 2.08 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 0.00 2.56 2.42 0.00 23 S 7.62 4.84 0.00 3.72 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 24 T 7.49 4.56 4.20 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 1.18 0.00 0.00 25 D 8.41 5.17 0.00 2.43 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 26 V 8.27 4.33 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 0.69 0.00 0.00 0.88 0.00 0.00 27 P 0.00 3.71 0.00 1.83 1.84 0.00 3.69 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.21 0.00 28 A 8.23 4.28 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 29 S 8.38 4.46 0.00 3.97 3.88 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 30 R 8.67 3.90 0.00 1.89 2.10 0.00 3.35 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 31 F 8.39 4.48 0.00 2.97 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 32 K 8.05 3.65 0.00 1.86 1.69 0.00 1.72 0.00 0.00 1.47 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.24 7.81 33 E 8.44 3.58 0.00 1.95 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 0.00 2.38 2.30 0.00 34 E 8.84 4.01 0.00 2.37 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 0.00 2.59 2.62 0.00 35 I 7.72 3.74 1.79 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.72 0.76 0.00 0.00 36 L 7.90 3.83 0.00 1.23 1.20 0.40 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.98 4.05 0.00 2.22 2.02 0.00 3.17 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.87 0.00 38 I 7.42 3.76 2.05 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 1.57 0.31 0.99 0.00 0.00 39 L 8.02 4.14 0.00 1.81 1.81 0.90 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.89 4.27 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 41 R 8.29 3.88 0.00 1.91 2.20 0.00 3.29 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 42 E 8.63 4.22 0.00 2.14 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 2.54 2.59 0.00 43 G 9.32 3.79 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 0.00 0.00 0.00 44 F 8.25 4.71 0.00 3.28 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 45 I 7.52 4.70 2.11 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.76 0.95 0.00 0.00 46 K 8.31 4.03 0.00 2.08 2.00 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.55 1.75 7.81 47 G 7.43 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 48 Y 7.62 5.80 0.00 3.19 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 49 E 8.68 4.71 0.00 2.03 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 2.57 2.45 0.00 50 R 8.71 4.67 0.00 1.79 1.99 0.00 3.21 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.76 0.00 51 V 8.79 4.65 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 1.02 0.00 0.00 1.06 0.00 0.00 52 D 8.74 5.50 0.00 2.60 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 0.00 0.00 0.00 0.00 53 V 8.77 4.19 1.60 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 0.70 0.00 0.00 0.79 0.00 0.00 54 D 10.23 4.40 0.00 2.78 2.71 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 55 G 8.70 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 7.99 4.67 0.00 2.00 1.67 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.40 7.81 57 P 0.00 4.82 0.00 2.05 2.18 0.00 3.59 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 1.93 1.95 0.00 58 Y 9.48 5.03 0.00 2.95 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 59 L 8.78 4.76 0.00 1.55 1.58 0.74 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.95 4.32 0.00 1.75 1.40 0.00 3.14 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 61 V 8.67 4.69 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 0.98 0.00 0.00 0.97 0.00 0.00 62 Y 9.09 4.61 0.00 3.13 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 63 L 8.55 4.48 0.00 1.61 1.24 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.93 4.66 0.00 1.78 1.73 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.48 7.81 65 Y 8.76 4.83 0.00 3.09 3.03 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 66 G 8.90 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 0.00 0.00 0.00 0.00 67 P 0.00 4.90 0.00 2.14 2.23 0.00 3.77 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 2.06 1.98 0.00 68 R 8.49 4.36 0.00 1.81 1.86 0.00 3.13 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 69 R 8.38 4.86 0.00 1.67 1.83 0.00 3.23 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 70 Q 8.71 4.47 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.10 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 71 G 8.45 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 0.00 0.00 0.00 72 P 0.00 4.29 0.00 2.19 2.07 0.00 3.92 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 73 D 8.49 4.20 0.00 2.76 2.67 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 74 P 0.00 4.47 0.00 2.20 2.23 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 75 R 7.78 3.75 0.00 1.89 1.77 0.00 3.34 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.53 0.00 76 P 0.00 5.22 0.00 2.22 2.33 0.00 2.83 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.81 0.00 77 E 8.79 4.40 0.00 2.15 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 2.48 2.46 0.00 78 Q 8.66 4.51 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.24 0.00 79 V 8.17 3.94 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 1.05 0.00 0.00 0.97 0.00 0.00 80 I 7.13 4.24 1.70 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 1.20 0.68 0.67 0.00 0.00 81 H 8.36 4.29 0.00 3.33 3.58 0.00 5.92 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 82 H 7.43 4.36 0.00 1.74 1.31 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.42 4.55 1.56 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 1.03 0.54 0.67 0.00 0.00 84 R 8.38 4.55 0.00 1.50 1.60 0.00 3.27 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.64 0.00 85 R 8.58 3.87 0.00 1.67 1.80 0.00 3.23 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 86 I 8.60 4.38 2.22 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 1.11 0.75 0.89 0.00 0.00 87 S 7.91 4.27 0.00 3.77 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 88 K 8.46 4.62 0.00 1.72 1.61 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.34 1.54 7.81 89 P 0.00 4.29 0.00 2.17 2.06 0.00 3.93 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 1.98 1.97 0.00 90 G 8.62 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 91 R 7.26 5.53 0.00 1.89 1.85 0.00 3.30 0.00 0.00 3.31 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.30 0.00 92 R 7.28 4.06 0.00 1.75 1.39 0.00 3.38 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.33 0.00 93 V 7.73 4.13 1.95 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 0.93 0.00 0.00 0.86 0.00 0.00 94 Y 8.43 5.41 0.00 2.90 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 95 V 8.82 4.71 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 1.03 0.00 0.00 96 G 9.72 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 0.00 0.00 0.00 97 V 8.43 3.33 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 0.77 0.00 0.00 1.00 0.00 0.00 98 K 8.02 4.15 0.00 1.78 1.91 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.47 7.81 99 E 8.91 4.49 0.00 1.90 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 2.27 2.27 0.00 100 I 7.67 3.84 1.89 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 1.50 0.65 0.94 0.00 0.00 101 P 0.00 4.44 0.00 2.20 2.08 0.00 3.75 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 2.02 2.02 0.00 102 R 8.01 4.41 0.00 1.79 1.90 0.00 3.23 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 1.54 1.58 0.00 103 V 8.18 3.44 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 1.27 0.00 0.00 1.07 0.00 0.00 104 R 9.15 3.38 0.00 1.78 1.66 0.00 3.01 0.00 0.00 2.76 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 105 R 8.82 3.77 0.00 1.77 1.89 0.00 3.21 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 106 G 8.21 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 0.00 0.00 0.00 107 L 7.85 4.12 0.00 1.61 1.76 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.46 4.53 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 0.00 0.00 0.00 109 I 9.18 4.98 1.99 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.03 1.11 0.00 0.00 110 A 8.62 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 0.00 111 I 8.24 4.49 1.87 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 1.27 1.24 0.94 0.00 0.00 112 L 8.38 4.69 0.00 1.57 1.63 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.97 4.93 0.00 4.03 3.77 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 0.00 114 T 8.90 5.21 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 1.27 0.00 0.00 115 S 8.86 4.25 0.00 3.98 4.02 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 0.00 116 K 7.62 4.37 0.00 1.72 1.87 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.37 7.81 117 G 7.89 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 0.00 0.00 0.00 118 V 8.07 4.72 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 1.04 0.00 0.00 1.14 0.00 0.00 119 L 8.40 4.73 0.00 1.91 1.73 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.68 4.56 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 1.37 0.00 0.00 121 D 8.80 4.35 0.00 2.95 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 0.00 122 R 8.06 3.98 0.00 1.90 2.05 0.00 3.15 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 123 E 8.14 3.95 0.00 2.29 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 2.35 2.36 0.00 124 A 8.39 4.01 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 0.00 125 R 8.82 3.84 0.00 2.00 1.95 0.00 3.12 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 126 K 8.06 3.90 0.00 1.85 2.03 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.50 7.81 127 L 7.99 4.23 0.00 1.84 1.71 0.93 0.95 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 0.00 128 G 8.05 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 0.00 0.00 0.00 129 V 7.86 4.48 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 0.73 0.00 0.00 0.95 0.00 0.00 130 G 7.41 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 0.00 0.00 0.00 0.00 131 G 7.66 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 E 8.22 4.56 0.00 2.38 1.95 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 2.28 2.12 0.00 133 L 9.09 4.54 0.00 1.73 1.53 0.94 0.87 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 0.00 134 I 8.44 3.61 2.12 0.00 0.00 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 1.46 0.83 0.87 0.00 0.00 135 C 8.00 5.05 0.00 2.99 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 0.00 136 E 8.40 4.82 0.00 2.05 1.84 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 2.34 2.37 0.00 137 V 7.96 4.46 1.68 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 -0.40 0.00 0.00 0.65 0.00 0.00 138 W 8.44 4.89 0.00 3.31 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