NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5210 8.1585 120.3393 55.5232 34.5756 177.5072 2 A 3.8731 8.0015 120.4290 54.7317 18.3640 176.2147 3 E 4.0652 8.4806 116.9096 59.6909 30.0014 177.1298 4 Y 3.9029 7.7818 120.6787 59.9219 38.9253 178.1670 5 G 3.4595 7.9559 106.4839 48.2080 0.0000 175.8572 6 T 3.8542 7.8962 118.3915 65.8477 68.4122 176.3668 7 L 3.9693 8.2085 123.2594 58.3308 41.9095 179.1014 8 L 3.3177 7.0880 118.4734 57.5534 41.2891 179.4448 9 Q 4.0221 7.7885 119.4238 59.0708 28.7267 178.0165 10 D 4.3038 8.5440 120.4913 57.3598 41.2479 178.5214 11 L 4.0589 7.9000 120.2097 59.0899 40.3742 179.3420 12 T 4.0075 8.4592 117.0937 66.6216 68.1434 176.2905 13 N 4.4080 8.5505 117.9396 55.7050 38.6372 176.1762 14 N 4.8371 7.8128 115.1285 52.0379 39.1595 174.6339 15 I 4.1073 7.2602 122.5063 60.1072 38.5560 175.8589 16 T 4.4225 8.1427 118.6560 60.5734 71.6467 175.2520 17 L 3.9024 8.3144 123.2496 58.3281 41.9234 179.2563 18 E 3.9023 8.0121 118.0268 59.5484 29.5921 178.7758 19 D 4.3266 8.7954 119.5535 57.1769 40.6146 178.5515 20 L 3.7730 8.4960 121.1440 58.3146 42.0017 178.9739 21 E 3.4785 7.8952 117.7911 59.1912 29.2066 179.2744 22 Q 3.8089 7.5926 119.9190 58.9418 29.0952 178.0836 23 L 3.7348 7.6871 119.9731 57.7189 41.6945 179.6006 24 K 3.5195 8.5158 119.3396 59.4131 31.6610 179.5269 25 S 4.0280 8.2213 114.8396 61.6080 62.8277 176.3867 26 A 4.1390 7.8002 122.3891 54.9214 17.9847 178.6387 27 C 4.5054 8.3785 113.6414 60.5113 28.1821 175.6251 28 K 4.0629 7.6014 120.8915 59.7388 31.6621 178.4544 29 E 4.1506 8.1392 117.5238 58.8031 29.6035 178.0013 30 D 4.5526 7.9611 117.0435 54.5041 42.1827 176.4782 31 I 4.5880 8.3973 119.1948 58.1227 40.0353 173.9250 32 P 4.4071 0.0000 0.0000 62.8934 33.0354 177.6005 33 S 4.0322 8.5811 114.3177 61.4032 62.1758 176.0355 34 E 3.8837 8.1548 120.9482 58.6766 29.7420 177.9828 35 K 4.1462 7.6094 117.1781 57.7555 32.7002 178.4599 36 S 3.9258 7.6308 113.6649 61.2793 61.9230 176.0356 37 E 3.9075 7.6702 120.9609 59.0172 29.2617 177.5735 38 E 4.3122 7.8169 113.5433 56.7424 30.3181 177.4802 39 I 4.0927 7.1166 122.7014 60.7386 35.3997 175.2846 40 T 4.3162 7.6836 113.5167 62.1702 68.1944 174.4397 41 T 4.7497 7.3028 113.0764 60.3305 71.5817 174.0646 42 G 3.5802 8.7412 112.3654 47.9374 0.0000 176.2801 43 S 4.2990 8.7947 117.6246 61.5952 62.8820 176.5612 44 A 3.9986 7.9708 123.0222 54.6698 17.8424 179.4123 45 W 4.3185 8.4520 127.2198 60.8567 30.5925 178.2762 46 F 4.2345 8.6713 118.7335 60.8511 38.3141 177.9593 47 S 4.3090 8.9695 115.1791 61.4787 62.6510 176.5517 48 F 4.1449 8.3089 123.3063 61.2658 38.7130 177.0043 49 L 3.7290 9.0709 119.5702 57.9122 41.1952 179.5036 50 E 4.4655 8.9318 119.1294 59.1860 29.5264 179.3941 51 S 4.2196 8.4143 114.0947 61.1421 63.1065 174.2317 52 H 4.8150 7.6612 118.0732 53.6193 32.4232 173.5463 53 N 4.8133 8.3306 117.4354 53.6891 37.5021 175.9997 54 K 4.1850 7.3445 118.1267 57.9095 33.0574 176.9565 55 L 4.4320 7.2930 119.7527 55.1951 43.1355 174.0556 56 D 5.0459 8.3396 127.8311 52.9492 42.7384 176.5132 57 K 4.0740 8.3779 117.8439 59.2542 32.7899 176.9351 58 D 4.2388 7.4990 115.6053 53.2873 42.5739 174.9036 59 N 4.6503 7.7090 116.7853 52.6581 38.0245 174.6778 60 L 4.9794 8.2076 122.2300 54.7944 41.6873 178.4488 61 S 4.1200 8.3165 116.6152 62.2935 62.7883 175.7968 62 Y 4.2523 8.0401 122.9076 60.1352 38.6163 177.6295 63 I 3.0685 7.4793 113.6076 63.9169 37.9513 177.5017 64 E 4.3252 9.1338 122.7359 59.2386 29.1380 178.4781 65 H 4.2095 7.9845 118.3767 59.1092 29.8846 177.1916 66 I 3.7400 7.2623 121.1395 64.5859 36.7325 178.5272 67 F 4.6750 7.5774 118.6026 59.7414 38.7029 177.2779 68 E 4.1542 7.9686 118.7676 59.2914 29.6950 178.5502 69 I 3.7882 8.3554 113.1102 62.8249 38.0393 176.6659 70 S 4.3815 7.8397 115.2794 57.7690 64.4008 174.4424 71 R 4.6516 8.1865 122.0609 55.4902 28.7355 178.9009 72 R 4.7102 7.2170 118.3489 53.1241 31.7544 174.8345 73 P 4.4350 0.0000 0.0000 65.0851 31.2389 178.4024 74 D 4.3425 7.9879 119.1970 57.3451 40.8183 178.3592 75 L 3.8127 7.5462 118.6084 57.5891 41.4711 179.0593 76 L 3.9461 7.8694 119.7612 58.6058 41.7307 178.8474 77 T 3.9431 8.2238 115.8878 67.1047 68.3448 176.4149 78 M 4.0775 7.6807 119.7513 58.3152 31.8571 179.0815 79 V 3.5613 7.6127 118.4369 65.8050 31.5558 178.3103 80 V 3.6367 8.8134 119.0930 66.2924 31.4771 177.7509 81 D 4.3946 9.1536 119.7022 57.5145 40.5055 178.2333 82 Y 4.0021 8.4291 120.4992 60.5057 38.6724 177.6709 83 R 4.0302 8.5476 120.1350 60.2013 30.0759 178.5456 84 T 3.9706 7.7021 115.2687 66.2138 68.2945 177.2783 85 R 3.8057 8.2368 118.5514 59.4726 29.3383 179.1953 86 V 3.3876 7.9185 119.5470 64.9518 31.2034 177.7661 87 L 3.6662 7.4170 120.5658 57.8296 41.6872 178.8242 88 K 4.0680 8.3073 119.0680 58.8428 32.1020 178.6236 89 I 3.9721 6.9974 119.4515 63.4045 38.8031 177.1805 90 S 4.4893 8.5019 117.3684 57.5461 61.2812 176.7729 91 E 4.4447 7.4086 119.7352 55.5777 27.7213 176.1868 92 E 4.3386 8.0543 121.2336 55.7194 30.8321 176.5109 93 D 4.6624 8.5488 121.3010 55.3725 42.3658 177.0965 94 E 4.5103 7.9335 117.5676 56.1120 29.6746 177.7519 95 L 4.0464 7.8586 123.5757 58.1089 42.3090 177.8270 96 D 4.4421 7.9844 116.8749 56.4949 41.5361 176.1299 97 T 4.1550 7.1889 108.7115 61.3609 69.3339 174.3414 98 K 4.3862 8.5157 124.4368 56.0978 32.2485 176.3997 99 L 4.0968 7.8050 120.5537 54.9485 41.4566 175.5339 100 T 4.0896 7.9836 115.7451 62.1830 69.5047 175.8149 101 R 4.3494 7.8413 126.4135 53.9596 29.6126 175.2087 102 I 4.4472 7.4328 121.4296 57.7382 37.8069 174.2607 103 P 4.4561 0.0000 0.0000 64.2220 31.4769 177.7338 104 S 4.3138 7.9346 110.1652 59.4343 63.5349 173.8354 105 A 4.6169 8.3836 122.9893 53.6332 23.2914 176.7545 106 K 4.2380 7.7743 115.0076 55.8743 33.0618 176.4602 107 K 4.5344 8.3802 121.9835 55.2254 32.8813 176.7510 108 Y 4.4211 8.5706 122.0759 57.3759 38.5479 175.6949 109 K 4.4218 8.2972 117.4559 56.3323 32.3593 177.6656 110 D 4.2022 7.1485 121.2583 56.8332 40.8393 177.0710 111 I 3.8630 6.5267 118.8710 60.3549 37.9726 175.6551 112 I 3.9242 8.1070 125.7152 60.5578 36.4533 175.8869 113 R 4.3922 8.2809 125.8525 54.5533 30.2942 176.3377 114 Q 4.3725 8.4152 123.0112 54.3983 29.6824 174.7049 115 P 4.4058 0.0000 0.0000 64.1809 32.0174 176.9955 116 S 4.3453 7.7022 115.4630 57.7662 61.5818 172.9499 117 E 4.2388 8.2054 126.2136 55.3047 27.6883 176.9133 118 E 4.1901 8.2757 121.8605 57.3817 30.1251 178.2259 119 E 4.0394 7.7642 119.7722 59.0126 29.5420 177.5996 120 I 4.3295 7.5224 110.4105 60.8153 37.5854 177.0681 121 I 3.9072 7.6254 122.9824 63.4560 38.0452 177.0748 122 K 4.2629 7.9006 117.3144 57.8854 32.8355 177.1178 123 L 4.1669 7.4105 119.7415 55.9419 42.4365 176.4297 124 A 4.2412 7.4648 121.0470 51.9690 19.0593 176.4624 125 P 4.7371 0.0000 0.0000 60.4211 30.2811 173.1293 126 P 4.5006 0.0000 0.0000 62.7818 32.5123 175.1136 127 P 4.6060 0.0000 0.0000 62.9763 31.8120 176.0615 128 K 4.2191 7.8332 119.7940 56.2771 33.1715 175.7198 129 K 4.0372 8.5217 127.4218 56.1932 32.8173 176.3622 130 A 4.2126 8.5411 127.8811 52.4914 18.5659 176.8433 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 8.16 4.52 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 2 A 8.00 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 3 E 8.48 4.07 0.00 2.24 2.35 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 2.47 2.34 0.00 4 Y 7.78 3.90 0.00 3.16 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 5 G 7.96 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 0.00 0.00 0.00 6 T 7.90 3.85 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 1.29 0.00 0.00 7 L 8.21 3.97 0.00 0.77 0.90 0.81 -1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.09 3.32 0.00 1.06 0.42 -0.19 -0.33 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 9 Q 7.79 4.02 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 10 D 8.54 4.30 0.00 2.69 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 11 L 7.90 4.06 0.00 1.67 1.71 1.10 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.46 4.01 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 13 N 8.55 4.41 0.00 2.86 2.88 0.00 0.00 7.00 8.33 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 14 N 7.81 4.84 0.00 2.77 2.83 0.00 0.00 6.93 7.39 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 15 I 7.26 4.11 2.03 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 1.44 1.14 1.02 0.00 0.00 16 T 8.14 4.42 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 1.21 0.00 0.00 17 L 8.31 3.90 0.00 1.75 1.68 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.01 3.90 0.00 2.03 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 2.37 2.37 0.00 19 D 8.80 4.33 0.00 2.86 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 20 L 8.50 3.77 0.00 1.80 1.66 0.77 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.90 3.48 0.00 2.13 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 2.23 2.48 0.00 22 Q 7.59 3.81 0.00 2.03 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 23 L 7.69 3.73 0.00 1.31 1.02 1.08 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.52 3.52 0.00 1.59 1.62 0.00 1.48 0.00 0.00 1.52 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.86 1.21 7.81 25 S 8.22 4.03 0.00 3.93 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 26 A 7.80 4.14 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 27 C 8.38 4.51 0.00 2.96 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 28 K 7.60 4.06 0.00 1.78 1.87 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.65 1.57 7.81 29 E 8.14 4.15 0.00 1.98 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 2.32 2.41 0.00 30 D 7.96 4.55 0.00 2.86 2.36 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 31 I 8.40 4.59 2.31 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.62 0.96 0.00 0.00 32 P 0.00 4.41 0.00 2.29 2.19 0.00 3.90 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 2.02 2.14 0.00 33 S 8.58 4.03 0.00 3.87 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 34 E 8.15 3.88 0.00 1.97 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 2.30 2.46 0.00 35 K 7.61 4.15 0.00 1.31 1.01 0.00 1.98 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.40 1.33 7.81 36 S 7.63 3.93 0.00 3.76 3.94 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 37 E 7.67 3.91 0.00 1.91 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 2.30 2.41 0.00 38 E 7.82 4.31 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 2.30 2.25 0.00 39 I 7.12 4.09 1.86 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.69 0.79 0.00 0.00 40 T 7.68 4.32 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 1.27 0.00 0.00 41 T 7.30 4.75 4.27 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 1.27 0.00 0.00 42 G 8.74 3.58 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 0.00 0.00 0.00 43 S 8.79 4.30 0.00 3.91 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 44 A 7.97 4.00 1.51 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 0.00 0.00 45 W 8.45 4.32 0.00 3.22 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 46 F 8.67 4.23 0.00 3.09 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 47 S 8.97 4.31 0.00 3.96 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 48 F 8.31 4.14 0.00 3.30 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 49 L 9.07 3.73 0.00 1.72 1.63 1.26 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.93 4.47 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 2.52 2.45 0.00 51 S 8.41 4.22 0.00 3.93 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 52 H 7.66 4.82 0.00 2.65 3.04 0.00 5.66 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 53 N 8.33 4.81 0.00 2.79 2.85 0.00 0.00 5.85 7.10 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 54 K 7.34 4.18 0.00 1.83 2.04 0.00 1.55 0.00 0.00 1.32 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.54 7.81 55 L 7.29 4.43 0.00 1.67 1.52 0.90 1.56 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 56 D 8.34 5.05 0.00 2.70 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.38 4.07 0.00 1.79 1.95 0.00 1.27 0.00 0.00 1.48 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.43 7.81 58 D 7.50 4.24 0.00 2.44 2.52 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 59 N 7.71 4.65 0.00 2.83 2.77 0.00 0.00 6.56 6.69 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 60 L 8.21 4.98 0.00 1.94 2.09 1.08 0.59 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 61 S 8.32 4.12 0.00 4.13 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 0.00 62 Y 8.04 4.25 0.00 3.07 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 63 I 7.48 3.07 1.74 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 1.74 1.43 0.67 0.00 0.00 64 E 9.13 4.33 0.00 2.22 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 2.44 2.49 0.00 65 H 7.98 4.21 0.00 3.40 3.51 0.00 5.84 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 66 I 7.26 3.74 1.45 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.79 0.56 0.00 0.00 67 F 7.58 4.67 0.00 3.23 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 68 E 7.97 4.15 0.00 2.16 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 2.33 2.35 0.00 69 I 8.36 3.79 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.64 0.70 0.00 0.00 70 S 7.84 4.38 0.00 4.00 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 71 R 8.19 4.65 0.00 1.82 1.95 0.00 3.33 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 72 R 7.22 4.71 0.00 1.85 1.83 0.00 3.30 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 73 P 0.00 4.44 0.00 2.27 2.33 0.00 3.71 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 2.08 2.07 0.00 74 D 7.99 4.34 0.00 2.69 2.74 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 75 L 7.55 3.81 0.00 1.54 1.04 0.90 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.87 3.95 0.00 1.90 1.87 1.08 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.22 3.94 4.42 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 1.30 0.00 0.00 78 M 7.68 4.08 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.52 0.00 79 V 7.61 3.56 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 1.16 0.00 0.00 0.79 0.00 0.00 80 V 8.81 3.64 2.27 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 1.01 0.00 0.00 1.01 0.00 0.00 81 D 9.15 4.39 0.00 2.68 2.73 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 82 Y 8.43 4.00 0.00 3.02 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 83 R 8.55 4.03 0.00 2.10 2.32 0.00 3.35 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 84 T 7.70 3.97 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 1.20 0.00 0.00 85 R 8.24 3.81 0.00 1.98 2.33 0.00 2.62 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 86 V 7.92 3.39 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 0.81 0.00 0.00 0.05 0.00 0.00 87 L 7.42 3.67 0.00 1.77 1.73 0.89 0.47 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 88 K 8.31 4.07 0.00 1.83 1.93 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.49 7.81 89 I 7.00 3.97 1.95 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 1.48 0.79 0.88 0.00 0.00 90 S 8.50 4.49 0.00 3.85 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 91 E 7.41 4.44 0.00 1.94 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 2.38 2.47 0.00 92 E 8.05 4.34 0.00 1.94 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 2.28 2.56 0.00 93 D 8.55 4.66 0.00 2.65 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 94 E 7.93 4.51 0.00 1.98 1.93 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 2.34 2.22 0.00 95 L 7.86 4.05 0.00 1.59 1.68 0.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 96 D 7.98 4.44 0.00 2.65 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 97 T 7.19 4.15 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 1.25 0.00 0.00 98 K 8.52 4.39 0.00 1.76 1.85 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.39 1.39 7.81 99 L 7.81 4.10 0.00 1.61 1.62 0.91 0.88 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 0.00 100 T 7.98 4.09 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 1.27 0.00 0.00 101 R 7.84 4.35 0.00 1.81 1.96 0.00 3.20 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 102 I 7.43 4.45 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 1.41 0.76 0.95 0.00 0.00 103 P 0.00 4.46 0.00 1.96 1.98 0.00 3.70 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 104 S 7.93 4.31 0.00 3.95 3.94 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 0.00 105 A 8.38 4.62 1.21 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 0.00 106 K 7.77 4.24 0.00 1.95 1.74 0.00 1.67 0.00 0.00 1.81 0.00 0.00 3.14 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.67 7.81 107 K 8.38 4.53 0.00 1.81 1.88 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.43 7.81 108 Y 8.57 4.42 0.00 3.01 2.88 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 0.00 109 K 8.30 4.42 0.00 1.71 1.80 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.38 7.81 110 D 7.15 4.20 0.00 1.58 2.36 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 0.00 111 I 6.53 3.86 1.81 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.22 0.91 0.00 0.00 112 I 8.11 3.92 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.72 0.89 0.00 0.00 113 R 8.28 4.39 0.00 1.78 1.89 0.00 3.37 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.58 0.00 114 Q 8.42 4.37 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.04 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 115 P 0.00 4.41 0.00 2.18 2.17 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 116 S 7.70 4.35 0.00 3.88 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 0.00 117 E 8.21 4.24 0.00 2.00 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 2.37 2.33 0.00 118 E 8.28 4.19 0.00 2.00 1.99 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 2.31 2.50 0.00 119 E 7.76 4.04 0.00 2.05 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 2.32 2.24 0.00 120 I 7.52 4.33 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 1.30 0.70 0.91 0.00 0.00 121 I 7.63 3.91 2.10 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 1.47 1.19 0.94 0.00 0.00 122 K 7.90 4.26 0.00 1.91 1.91 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.42 7.81 123 L 7.41 4.17 0.00 1.65 1.81 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 124 A 7.46 4.24 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 0.00 125 P 0.00 4.74 0.00 2.17 2.08 0.00 3.77 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 1.90 1.92 0.00 126 P 0.00 4.50 0.00 2.20 2.09 0.00 3.77 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 1.98 1.95 0.00 127 P 0.00 4.61 0.00 2.20 2.18 0.00 3.76 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 1.97 1.95 0.00 128 K 7.83 4.22 0.00 1.74 1.74 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.42 7.81 129 K 8.52 4.04 0.00 1.76 1.70 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.44 7.81 130 A 8.54 4.21 1.24 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