NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 S 3.6118 8.3344 115.3680 57.1034 64.8918 173.3044 22 R 3.6869 7.9409 122.6131 55.8098 30.1847 173.4939 23 N 5.2886 9.5536 125.5498 52.6258 40.6276 173.6699 24 Y 4.2652 9.1619 123.8163 59.0253 38.5916 175.8457 25 L 4.2673 7.9602 120.2178 53.7363 42.7492 176.6435 26 K 4.1244 8.7064 122.7208 56.5965 33.5308 176.3246 27 N 4.1121 8.6235 118.1677 54.2141 37.3377 173.7449 28 P 4.6456 0.0000 0.0000 64.7322 32.0894 178.0129 29 G 4.5970 7.8148 106.0435 44.5966 0.0000 173.4146 30 F 4.0174 7.4755 116.4312 58.3978 36.9967 176.7568 31 E 4.3154 7.7515 120.0409 58.0676 29.3122 178.1819 32 T 3.8126 7.5421 107.7653 62.4350 69.0980 175.9006 33 G 3.3269 7.8027 110.1719 45.3220 0.0000 172.6162 34 E 4.7305 7.6436 117.2880 54.1082 33.8309 175.9214 35 F 4.5785 8.7433 118.6230 60.4738 39.3867 176.5307 36 S 4.5666 8.3185 114.4071 58.4386 62.4438 171.6012 37 P 4.7879 0.0000 0.0000 62.3027 31.4284 175.4176 38 W 4.4747 8.1728 119.5012 57.4578 29.6136 175.5083 39 R 4.4963 9.2985 125.4397 55.1325 31.4294 174.8621 40 V 4.7342 8.1853 125.6702 61.3507 33.2398 174.8031 41 S 4.6914 9.3120 123.2830 56.9262 66.7541 173.7967 42 G 4.2444 9.0371 107.8423 45.3937 0.0000 177.1654 43 D 4.7036 9.3485 117.8068 52.6058 39.2690 176.7542 44 K 3.7952 8.1055 122.9816 58.9704 32.6048 179.2081 45 K 4.1074 7.8599 115.5514 58.3571 32.8877 177.4547 46 A 4.1793 7.9259 122.2388 52.8165 18.6218 176.8313 47 V 4.6877 7.3324 115.4209 60.8846 34.3587 174.8964 48 K 4.9034 9.0224 125.4600 54.9436 37.1550 175.0592 49 V 4.3534 7.8814 122.1421 61.8783 32.5865 175.4895 50 V 4.6724 8.7942 120.3243 59.2463 36.2370 174.8200 51 K 3.9716 8.6422 124.1774 55.2594 32.3704 176.3969 52 A 4.1124 8.4872 131.0197 52.2810 18.9991 176.6733 53 N 4.6241 8.5647 120.6750 50.9925 40.5007 172.1743 54 P 4.5379 0.0000 0.0000 61.9793 32.5019 177.8252 55 S 4.1824 8.5929 114.0328 61.1340 62.9287 176.5477 56 S 4.2220 8.0296 114.6807 60.7667 62.7037 175.1998 57 N 4.1931 8.1708 118.0395 55.2442 38.3246 175.1943 58 A 4.7811 7.7731 120.5357 51.5336 20.0048 176.4906 59 H 3.9777 9.1569 119.6454 57.0290 30.7396 175.4757 60 Q 4.4167 7.8453 115.5309 55.2451 31.7988 175.7450 61 G 4.0970 8.4485 107.0974 46.2754 0.0000 172.8936 62 E 4.5318 9.3487 116.8320 56.4509 31.6130 175.6388 63 Y 5.3422 8.8009 116.2886 56.4008 41.3416 174.7312 64 A 4.9657 8.8396 121.7218 50.7797 23.6467 175.7045 65 V 3.9037 8.4678 120.0375 62.7395 32.9797 174.4739 66 N 4.9898 9.3666 126.6538 51.4599 41.8338 172.8687 67 F 5.4603 7.8152 120.7891 55.0656 41.2220 174.0512 68 W 5.1369 8.6095 127.4692 57.7981 34.7573 172.7301 69 L 3.2759 6.8131 125.6936 53.6583 44.9086 175.0005 70 D 4.4956 7.7110 121.2479 53.3421 39.8751 175.2773 71 E 4.7661 7.3574 116.9088 53.9659 32.9551 174.9919 72 S 4.4741 8.3987 113.8575 59.0296 63.6684 173.4867 73 F 5.2739 8.3807 115.2611 56.1777 41.5534 173.1423 74 S 5.2451 9.7687 116.0440 57.2124 67.3779 173.0719 75 F 5.3968 8.5029 117.2126 56.1504 41.8621 172.5626 76 E 5.1542 9.5487 117.7846 54.6016 33.9670 174.8417 77 L 5.4871 9.0958 123.2343 53.1396 44.7501 175.7946 78 S 5.3999 9.4260 117.2267 57.2628 67.2059 172.6670 79 Q 4.5448 8.8819 121.2137 54.8112 32.4508 172.9529 80 E 5.0020 8.5567 125.0878 54.7765 31.9415 175.4625 81 V 4.4147 8.5638 122.4303 61.1726 35.3257 173.7490 82 E 5.1181 8.7293 126.0792 54.9882 31.1695 175.3422 83 L 4.7862 8.6453 122.8567 52.2862 46.5377 174.4084 84 P 4.4930 0.0000 0.0000 62.0918 32.0471 176.2593 85 A 4.3519 8.0920 122.7988 51.2890 19.0429 177.6092 86 G 3.8512 7.9257 106.2087 46.6229 0.0000 170.4310 87 V 5.0128 7.3820 119.0117 61.3724 33.8437 174.6214 88 Y 5.3917 9.1747 124.6312 56.1530 42.5566 174.3927 89 R 5.2014 9.3678 116.7325 54.6145 33.3529 174.3727 90 V 4.7338 8.6851 120.5739 61.5486 35.2858 174.5560 91 G 3.8586 7.8702 112.4602 46.9673 0.0000 170.9105 92 F 5.5174 7.5014 113.2347 56.8207 41.5822 172.7119 93 W 5.3865 9.2023 117.8292 55.4906 32.4278 175.0320 94 T 5.9759 9.8041 117.5847 61.4680 71.0047 171.8672 95 H 4.9891 8.2188 120.2187 54.4789 32.4841 173.1958 96 G 2.9708 7.8159 105.0872 45.4845 0.0000 171.8653 97 E 3.7935 6.0238 119.8673 55.4129 29.9847 177.0452 98 K 3.9414 8.3796 126.0981 58.3774 32.4553 176.8179 99 G 3.9162 8.9964 114.8815 44.8758 0.0000 173.3782 100 V 3.7135 7.4554 120.6564 62.6322 33.0671 174.9756 101 K 4.6002 8.5067 127.2101 55.1805 33.6430 175.5164 102 I 5.1367 8.7750 126.0120 59.3237 40.8308 174.6544 103 A 5.1761 8.9639 127.0289 50.0638 22.7859 174.3374 104 L 5.1799 9.0057 123.6575 53.3789 44.5529 175.3991 105 K 5.2197 9.3289 125.0817 54.7556 36.3791 175.6007 106 V 5.1666 8.9999 117.3896 59.8263 35.4948 174.8481 107 S 4.8329 8.9180 117.6958 57.9604 66.9757 174.0318 108 D 4.4677 8.7275 116.8708 54.9321 39.3847 173.6210 109 Y 5.3612 7.7247 114.8304 56.6170 38.9011 175.6435 110 G 3.2599 6.7463 112.7198 44.8616 0.0000 172.8758 111 G 4.2021 5.3800 107.7511 42.1932 0.0000 172.0606 112 N 4.5033 8.3854 115.8668 52.5125 39.1439 174.7086 113 E 4.3943 8.6298 121.1984 57.1830 30.3014 176.1718 114 R 4.9684 8.9418 125.1315 54.7426 33.0344 175.2176 115 S 5.3699 8.4235 115.6214 57.2338 66.4664 173.3919 116 V 4.5966 8.8395 119.4317 60.2285 34.8500 173.7338 117 E 5.2039 8.7856 121.7034 54.9099 32.1425 175.6426 118 V 4.5966 8.9768 115.6447 59.8368 36.6720 173.9010 119 E 5.7634 8.8126 121.5730 53.8747 32.0290 176.2950 120 T 4.2880 8.4436 113.7615 61.7039 70.5097 174.7717 121 T 4.5710 8.8300 110.2318 60.5853 70.2104 172.6726 122 G 4.2918 7.8355 107.8943 42.6734 0.0000 173.4713 123 W 4.8149 8.7658 130.6994 58.8218 30.9461 175.5767 124 L 2.8287 8.5874 123.5060 55.4973 38.3742 175.2220 125 E 4.4194 7.5636 120.5788 54.6632 28.0209 175.0367 126 W 4.7500 8.4426 122.1864 56.5111 30.2813 175.3463 127 K 4.5914 9.8385 123.5904 54.4209 34.6089 175.0923 128 N 5.0789 8.1176 120.8345 49.2810 38.0488 171.5416 129 P 4.2032 0.0000 0.0000 62.9583 32.8313 176.1099 130 E 5.0363 8.3534 121.8597 55.0046 33.0462 173.8503 131 I 4.5855 8.9946 126.4152 59.6650 40.3060 175.3738 132 R 4.8265 8.6265 125.0242 54.7766 33.0459 174.7889 133 N 4.0672 8.6940 113.6515 54.6010 36.4219 175.9230 134 I 3.9828 7.8403 119.6304 59.9225 38.7729 176.7377 135 K 4.6768 8.5815 130.2658 55.1647 32.1638 176.3150 136 V 4.3774 9.0595 130.1562 62.6338 31.7336 176.0825 137 E 4.6178 9.6050 127.9720 56.4886 31.0923 177.0864 138 T 4.1974 7.9895 107.1529 60.9141 69.7741 175.5966 139 G 4.1402 8.4482 110.5209 46.0702 0.0000 172.7527 140 R 5.1564 7.6776 117.0753 54.6938 35.1635 173.8389 141 I 4.9517 8.4963 119.4444 59.7683 42.1872 173.1029 142 K 4.9073 9.2401 129.6867 54.6347 35.1460 174.5016 143 I 5.0161 8.6270 128.0136 59.9296 39.7132 174.6427 144 T 5.2277 9.0945 123.8026 61.6617 72.1857 173.0591 145 V 4.9790 9.1217 126.1888 61.0974 34.2197 174.2851 146 S 5.1065 8.9016 122.5772 56.6347 65.8604 173.2111 147 V 4.4622 8.0028 121.4225 60.9885 35.0698 173.7752 148 E 4.7179 8.8092 127.5854 54.4627 32.7208 174.2849 149 G 3.7325 8.1081 113.6062 44.0903 0.0000 172.1113 150 R 4.7555 8.9257 120.8159 54.2296 32.3890 176.0032 151 A 4.2003 8.4082 123.1420 54.2709 18.4238 178.3090 152 G 4.1942 8.9959 112.1091 45.3548 0.0000 173.5258 153 D 4.9690 8.2787 120.0344 54.6698 42.3446 175.1133 154 W 5.3791 7.5253 115.8688 55.9488 31.6795 173.0784 155 G 3.8019 6.8028 106.8090 46.0800 0.0000 171.8153 156 F 5.4735 8.5977 117.7974 55.6233 43.1556 174.7394 157 I 5.4342 8.8868 122.6352 60.0294 40.4090 174.0566 158 D 5.0686 9.9671 124.3344 53.5416 45.3769 173.8174 159 D 4.7191 8.7900 118.1391 55.4848 39.0742 172.8439 160 F 4.8695 8.7836 118.4421 58.1753 40.2256 176.4419 161 Y 4.9944 8.5864 118.6327 55.6251 41.7758 173.8253 162 L 4.7632 9.1079 123.4246 53.7596 44.9491 174.7657 163 F 5.9309 9.3503 125.5564 55.6610 42.3809 174.9971 164 R 3.9524 8.9476 122.8154 55.8080 30.7868 175.9839 165 E 4.2635 8.8094 125.4652 56.6784 29.1288 176.7078 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 21 S 8.33 3.61 0.00 3.80 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 22 R 7.94 3.69 0.00 1.83 1.90 0.00 3.03 0.00 0.00 2.73 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.48 0.00 23 N 9.55 5.29 0.00 3.04 2.84 0.00 0.00 7.23 7.54 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 24 Y 9.16 4.27 0.00 3.14 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 25 L 7.96 4.27 0.00 1.86 1.56 1.08 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.71 4.12 0.00 1.64 1.65 0.00 1.82 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.44 7.81 27 N 8.62 4.11 0.00 2.89 2.83 0.00 0.00 6.77 7.71 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 28 P 0.00 4.65 0.00 2.69 2.45 0.00 3.73 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 2.17 2.06 0.00 29 G 7.81 4.60 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 0.00 0.00 0.00 30 F 7.48 4.02 0.00 3.49 3.15 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 0.00 0.00 0.00 31 E 7.75 4.32 0.00 2.17 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 0.00 2.66 2.50 0.00 32 T 7.54 3.81 4.19 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 1.25 0.00 0.00 33 G 7.80 3.33 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 0.00 34 E 7.64 4.73 0.00 1.97 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 2.33 2.39 0.00 35 F 8.74 4.58 0.00 3.33 3.46 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 36 S 8.32 4.57 0.00 3.92 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 37 P 0.00 4.79 0.00 2.08 2.05 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.81 0.00 38 W 8.17 4.47 0.00 3.66 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 39 R 9.30 4.50 0.00 1.88 1.82 0.00 3.06 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 40 V 8.19 4.73 1.72 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 0.59 0.00 0.00 -0.15 0.00 0.00 41 S 9.31 4.69 0.00 3.79 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 42 G 9.04 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 43 D 9.35 4.70 0.00 2.99 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 44 K 8.11 3.80 0.00 1.75 1.75 0.00 1.62 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.56 7.81 45 K 7.86 4.11 0.00 1.83 1.90 0.00 1.54 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.33 7.81 46 A 7.93 4.18 0.98 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 47 V 7.33 4.69 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 0.00 0.00 0.56 0.00 0.00 -0.67 0.00 0.00 48 K 9.02 4.90 0.00 1.70 1.61 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.40 7.81 49 V 7.88 4.35 1.72 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 0.81 0.00 0.00 -0.12 0.00 0.00 50 V 8.79 4.67 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 0.71 0.00 0.00 1.17 0.00 0.00 51 K 8.64 3.97 0.00 1.44 1.57 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.68 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.11 0.65 7.81 52 A 8.49 4.11 1.18 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 0.00 0.00 0.00 0.00 0.00 53 N 8.56 4.62 0.00 2.58 2.65 0.00 0.00 7.17 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 54 P 0.00 4.54 0.00 2.30 2.21 0.00 3.83 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 2.25 2.23 0.00 55 S 8.59 4.18 0.00 3.98 4.13 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 56 S 8.03 4.22 0.00 3.91 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.17 4.19 0.00 2.33 1.42 0.00 0.00 6.90 6.97 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 58 A 7.77 4.78 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 59 H 9.16 3.98 0.00 2.50 3.10 0.00 5.74 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 7.85 4.42 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.64 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 61 G 8.45 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 62 E 9.35 4.53 0.00 1.80 1.70 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 2.20 2.29 0.00 63 Y 8.80 5.34 0.00 3.12 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 64 A 8.84 4.97 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 3.90 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 1.05 0.00 0.00 -0.20 0.00 0.00 66 N 9.37 4.99 0.00 2.62 2.45 0.00 0.00 6.45 7.61 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 67 F 7.82 5.46 0.00 3.17 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 68 W 8.61 5.14 0.00 3.29 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 69 L 6.81 3.28 0.00 1.12 1.34 0.65 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 70 D 7.71 4.50 0.00 2.76 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 71 E 7.36 4.77 0.00 2.02 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 2.08 2.26 0.00 72 S 8.40 4.47 0.00 3.91 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 73 F 8.38 5.27 0.00 3.19 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 74 S 9.77 5.25 0.00 3.71 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 75 F 8.50 5.40 0.00 3.24 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 76 E 9.55 5.15 0.00 1.91 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 2.18 2.21 0.00 77 L 9.10 5.49 0.00 1.61 1.68 0.98 0.68 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 78 S 9.43 5.40 0.00 3.92 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 79 Q 8.88 4.54 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 1.78 1.81 0.00 80 E 8.56 5.00 0.00 1.79 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 2.17 2.21 0.00 81 V 8.56 4.41 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 1.04 0.00 0.00 0.78 0.00 0.00 82 E 8.73 5.12 0.00 1.87 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 2.21 2.29 0.00 83 L 8.65 4.79 0.00 1.30 1.19 -0.23 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.49 0.00 2.14 2.06 0.00 3.69 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 2.19 2.19 0.00 85 A 8.09 4.35 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 86 G 7.93 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.38 5.01 2.00 0.00 0.00 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 0.93 0.00 0.00 88 Y 9.17 5.39 0.00 2.82 2.82 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 89 R 9.37 5.20 0.00 2.04 2.33 0.00 3.00 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.90 0.00 90 V 8.69 4.73 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 1.03 0.00 0.00 0.93 0.00 0.00 91 G 7.87 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 0.00 0.00 0.00 92 F 7.50 5.52 0.00 2.54 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 W 9.20 5.39 0.00 3.44 3.09 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 0.00 0.00 0.00 0.00 94 T 9.80 5.98 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 1.28 0.00 0.00 95 H 8.22 4.99 0.00 2.96 2.57 0.00 5.79 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 96 G 7.82 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 0.00 0.00 0.00 97 E 6.02 3.79 0.00 1.16 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 2.46 2.22 0.00 98 K 8.38 3.94 0.00 1.75 1.72 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.44 7.81 99 G 9.00 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 0.00 100 V 7.46 3.71 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 1.06 0.00 0.00 101 K 8.51 4.60 0.00 1.66 1.64 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.48 1.48 7.81 102 I 8.78 5.14 1.92 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.76 1.10 0.00 0.00 103 A 8.96 5.18 1.18 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 0.00 0.00 0.00 0.00 0.00 104 L 9.01 5.18 0.00 2.07 1.62 1.19 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 105 K 9.33 5.22 0.00 1.72 1.67 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.42 7.81 106 V 9.00 5.17 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 0.85 0.00 0.00 0.86 0.00 0.00 107 S 8.92 4.83 0.00 3.89 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 0.00 108 D 8.73 4.47 0.00 2.81 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 0.00 109 Y 7.72 5.36 0.00 3.24 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 G 6.75 3.26 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 0.00 111 G 5.38 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 0.00 0.00 0.00 0.00 112 N 8.39 4.50 0.00 2.76 2.78 0.00 0.00 6.73 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 0.00 113 E 8.63 4.39 0.00 2.01 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 2.35 2.58 0.00 114 R 8.94 4.97 0.00 1.80 1.80 0.00 3.23 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 115 S 8.42 5.37 0.00 3.91 3.80 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 0.00 116 V 8.84 4.60 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 0.85 0.00 0.00 0.90 0.00 0.00 117 E 8.79 5.20 0.00 1.82 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 2.18 2.29 0.00 118 V 8.98 4.60 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 0.64 0.00 0.00 0.89 0.00 0.00 119 E 8.81 5.76 0.00 1.79 1.80 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 2.16 2.07 0.00 120 T 8.44 4.29 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 1.24 0.00 0.00 121 T 8.83 4.57 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 1.27 0.00 0.00 122 G 7.84 4.29 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 0.00 0.00 0.00 123 W 8.77 4.81 0.00 3.59 3.33 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 0.00 124 L 8.59 2.83 0.00 1.31 1.39 -0.16 0.52 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 0.00 125 E 7.56 4.42 0.00 2.09 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 2.30 2.43 0.00 126 W 8.44 4.75 0.00 3.37 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 0.00 127 K 9.84 4.59 0.00 1.56 1.60 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.52 1.49 7.81 128 N 8.12 5.08 0.00 1.44 1.97 0.00 0.00 7.36 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 0.00 129 P 0.00 4.20 0.00 1.83 1.91 0.00 3.20 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.23 0.00 130 E 8.35 5.04 0.00 1.88 1.75 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 2.24 2.56 0.00 131 I 8.99 4.59 1.85 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 1.22 0.66 0.86 0.00 0.00 132 R 8.63 4.83 0.00 1.78 1.96 0.00 3.38 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 133 N 8.69 4.07 0.00 2.87 2.88 0.00 0.00 6.94 7.30 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 0.00 134 I 7.84 3.98 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.82 0.27 0.00 0.00 135 K 8.58 4.68 0.00 1.83 1.86 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.48 7.81 136 V 9.06 4.38 2.39 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 0.94 0.00 0.00 0.90 0.00 0.00 137 E 9.60 4.62 0.00 1.94 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 2.28 2.44 0.00 138 T 7.99 4.20 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 1.19 0.00 0.00 139 G 8.45 4.14 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 0.00 140 R 7.68 5.16 0.00 1.86 1.72 0.00 3.11 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.72 0.00 141 I 8.50 4.95 1.76 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.49 0.73 0.00 0.00 142 K 9.24 4.91 0.00 1.80 1.62 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.35 7.81 143 I 8.63 5.02 1.85 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 1.16 1.01 1.11 0.00 0.00 144 T 9.09 5.23 4.29 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 1.24 0.00 0.00 145 V 9.12 4.98 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 1.02 0.00 0.00 0.74 0.00 0.00 146 S 8.90 5.11 0.00 3.78 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 0.00 147 V 8.00 4.46 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 -0.00 0.00 0.00 0.26 0.00 0.00 148 E 8.81 4.72 0.00 1.84 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 1.98 2.05 0.00 149 G 8.11 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 0.00 150 R 8.93 4.76 0.00 1.81 1.84 0.00 3.11 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.49 0.00 151 A 8.41 4.20 1.30 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 0.00 152 G 9.00 4.19 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 0.00 0.00 0.00 153 D 8.28 4.97 0.00 2.97 2.82 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 0.00 154 W 7.53 5.38 0.00 3.42 3.44 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 0.00 155 G 6.80 3.80 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 0.00 0.00 0.00 156 F 8.60 5.47 0.00 2.85 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 0.00 157 I 8.89 5.43 2.05 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.25 0.92 0.00 0.00 158 D 9.97 5.07 0.00 3.14 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 0.00 159 D 8.79 4.72 0.00 3.12 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 0.00 160 F 8.78 4.87 0.00 3.32 3.18 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 0.00 0.00 0.00 161 Y 8.59 4.99 0.00 1.60 2.70 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 0.00 162 L 9.11 4.76 0.00 1.79 1.65 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 163 F 9.35 5.93 0.00 3.19 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 0.00 164 R 8.95 3.95 0.00 1.66 1.86 0.00 2.74 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.39 0.00 165 E 8.81 4.26 0.00 1.92 1.83 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 2.40 2.32 0.00