NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -7 P 4.3017 0.0000 0.0000 62.4056 32.5709 175.6580 -6 L 4.1593 8.0594 119.2612 53.2954 42.7631 175.1602 -5 G 3.9890 8.1949 108.9413 43.5279 0.0000 173.2751 -4 S 4.3911 8.2978 114.0132 56.9738 62.9642 173.1425 -3 P 4.5216 0.0000 0.0000 64.5403 31.1142 176.6719 -2 E 4.4745 8.2173 116.5294 56.9842 30.2839 177.0980 -1 F 4.1957 8.1870 122.4561 61.8513 39.5955 175.8231 -6 M 4.2993 8.1794 117.0612 53.5954 33.2631 173.8602 -5 A 4.3490 8.1049 123.9413 50.9279 21.1713 176.1751 -4 L 4.2611 8.1478 120.1132 53.7738 41.5642 176.1425 -3 K 4.4216 8.5769 124.5116 57.4403 32.1142 175.9719 -2 R 4.4645 8.0273 116.8294 56.3842 31.2839 176.7980 -1 I 3.7457 7.8870 122.0561 65.2513 38.7955 176.4231 7 N 4.4547 7.9724 116.7456 56.1644 38.2857 177.2077 8 K 3.9162 7.8972 120.3863 59.5842 32.3716 178.5273 9 E 4.0006 8.1489 118.3834 59.2319 29.5465 178.7396 10 L 4.0978 8.1766 119.8985 58.4602 42.1403 178.8733 11 S 4.0971 8.0294 112.7082 61.5701 62.2525 175.7115 12 D 4.4144 8.4025 121.7400 57.5178 40.1261 178.9307 13 L 4.0350 8.3315 119.3729 57.5873 41.3722 179.4225 14 A 4.0077 7.7443 119.7888 55.2854 18.4265 179.6784 15 R 4.1320 7.8401 115.5875 58.2223 31.5073 177.0528 16 D 4.7350 8.1680 116.9316 51.4053 41.3275 172.2983 17 P 4.4551 0.0000 0.0000 61.1804 32.6388 174.5624 18 P 4.4355 0.0000 0.0000 63.2217 33.0070 175.6847 19 A 3.5216 8.3716 126.5676 53.7872 18.0946 178.7608 20 Q 4.6263 8.3082 105.6648 56.3476 27.0004 174.8496 21 C 5.9031 8.3585 118.2578 57.6401 32.7427 174.5521 22 S 4.8494 7.9274 112.1684 56.9135 66.0103 172.5894 23 A 4.8848 7.8592 122.2541 51.2724 21.9512 175.7212 24 G 2.8381 8.2737 108.3914 44.1075 0.0000 170.8385 25 P 4.8173 0.0000 0.0000 63.1603 31.6934 176.0185 26 V 4.1182 8.3494 116.0176 60.5945 33.2471 177.5927 27 G 3.7892 8.7156 112.3071 46.2011 0.0000 173.2112 28 D 4.4868 8.6761 119.3258 54.3217 42.1355 176.2125 29 D 4.8371 7.7715 118.8452 53.4301 41.0733 176.4964 30 M 4.3874 8.8164 127.1943 57.7092 32.3727 177.3965 31 F 4.5267 9.1352 116.9829 57.8112 39.7062 174.2101 32 H 5.4648 8.8180 122.0451 54.4840 32.1574 172.3420 33 W 5.4392 9.5789 126.0067 54.9818 32.9522 174.6264 34 Q 5.2445 8.9664 121.7824 54.4571 31.9798 174.0590 35 A 5.3940 8.9696 125.3326 50.2983 23.2402 174.8918 36 T 4.6389 8.8552 110.1420 59.7365 72.0177 172.9694 37 I 4.9419 8.5075 125.3529 59.7802 40.5676 174.4464 38 M 4.8481 8.5082 126.6662 53.9826 33.1831 176.6349 39 G 4.0728 9.4355 111.0847 45.9622 0.0000 171.7805 40 P 4.5502 0.0000 0.0000 62.9557 32.0165 177.3767 41 N 4.6068 8.8092 119.5968 56.1545 38.7549 175.6265 42 D 4.8346 8.1132 115.9583 53.0793 39.8439 175.7463 43 S 4.8384 7.7291 113.1909 55.8221 65.6730 173.1093 44 P 4.1230 0.0000 0.0000 65.3910 30.9462 176.8558 45 Y 4.9487 7.6547 115.5734 56.8257 38.2174 174.9705 46 Q 4.2280 7.9092 122.4224 57.9858 29.2747 176.5845 47 G 4.1103 9.2894 113.5783 45.1390 0.0000 173.7323 48 G 3.7667 8.3882 107.4572 45.7049 0.0000 173.0129 49 V 4.6718 8.2601 123.4060 60.8697 33.1455 174.8375 50 F 5.0185 9.2482 127.1545 55.7259 41.9395 174.4844 51 F 5.1409 9.2458 121.8396 55.8095 41.7466 174.8053 52 L 5.1888 8.8996 121.2461 53.2962 46.0829 175.4150 53 T 5.1131 9.0020 118.4348 61.9202 71.5030 173.4248 54 I 4.6866 8.9201 126.4665 59.7238 40.6141 174.0419 55 H 5.2514 8.9882 124.7841 53.8881 31.0436 173.5798 56 F 4.4946 8.6855 123.4855 56.0335 39.6980 174.4308 57 P 4.6345 0.0000 0.0000 62.3286 32.1531 177.4560 58 T 4.1134 8.5179 109.6639 64.3513 68.9821 174.5358 59 D 5.0288 8.1257 120.9331 53.0880 39.8605 175.3289 60 Y 4.4100 7.9478 120.8594 58.3211 39.1417 174.1110 61 P 3.4858 0.0000 0.0000 62.3250 31.6847 177.5514 62 F 4.4801 7.8612 119.2230 59.6193 39.0817 175.6391 63 K 4.7481 7.7639 118.5358 53.2545 35.1149 174.1371 64 P 2.9700 0.0000 0.0000 61.1500 31.8432 174.4021 65 P 4.1673 0.0000 0.0000 62.5458 32.5081 175.2341 66 K 4.2638 8.7205 123.5194 55.4456 33.6111 175.4467 67 V 4.8642 8.3118 126.4271 61.0194 34.2462 174.2412 68 A 5.0894 8.8499 128.9019 49.9131 22.0789 175.1517 69 F 4.6638 9.3244 120.8251 57.8796 39.9649 176.0673 70 T 4.6984 9.4215 111.7771 61.7329 69.8923 173.7641 71 T 4.7638 8.0888 119.3236 61.6684 70.3673 174.6489 72 R 4.0375 8.7274 126.3473 56.7934 30.6208 175.4966 73 I 4.9374 8.2729 123.5652 59.8515 41.0269 173.5594 74 Y 4.0643 8.9480 128.8403 56.9937 37.9118 173.9436 75 H 4.7582 7.8000 125.6605 54.2968 33.0685 172.6636 76 P 4.2687 0.0000 0.0000 64.7963 31.4902 177.0693 77 N 4.7807 8.2762 115.2884 52.7319 39.2818 173.5393 78 I 5.2084 7.5884 117.6021 58.5239 40.7020 174.7072 79 N 4.9064 8.2810 122.6167 50.9732 39.6890 175.4830 80 S 4.2791 8.4453 113.0048 61.3167 62.9670 175.5191 81 N 4.4147 8.1686 116.2858 54.3366 38.6305 176.0138 82 G 4.1368 8.2935 106.8724 46.1309 0.0000 173.8023 83 S 4.4504 8.0516 116.6444 58.7344 63.3984 173.2850 84 I 4.7210 8.0636 124.3647 59.6635 39.0650 175.9924 85 C 4.3781 9.0036 127.1113 58.1368 30.0568 171.0950 86 L 4.7807 7.8042 123.1478 52.2236 45.1769 177.3781 87 D 4.4358 8.9705 123.9402 57.4275 40.9686 178.7179 88 I 3.8636 7.7074 110.6447 62.9549 37.8685 176.5636 89 L 4.5005 7.8586 119.7756 55.6267 43.4194 177.1901 90 R 4.4788 7.8119 114.9069 56.3238 29.6956 178.8828 91 S 4.3558 9.3008 124.5386 61.0593 63.5145 174.7307 92 Q 4.5510 7.8985 118.8440 55.2311 28.7776 175.2797 93 W 4.3750 8.1255 128.3456 57.4361 31.4937 175.3331 94 S 4.5082 6.7463 117.3018 55.5452 65.5336 173.0601 95 P 4.0760 0.0000 0.0000 64.5553 31.0895 177.4978 96 A 4.0057 6.9153 119.0781 53.4217 18.6198 177.8197 97 L 4.0229 6.9616 116.2045 54.3861 42.3717 176.6553 98 T 5.1696 7.8716 110.3176 59.2484 73.2990 174.9475 99 I 3.7803 9.9341 123.4453 64.6256 37.0211 178.4352 100 S 4.1491 8.2967 113.4222 61.6001 62.1318 176.1175 101 K 3.9274 8.0588 121.9281 59.4495 31.9185 178.8310 102 V 3.6781 8.0686 118.5252 66.0630 31.3899 178.0690 103 L 4.0258 8.3396 119.0411 57.8002 41.3975 179.3969 104 L 4.0007 8.1540 119.0198 58.0357 41.5626 179.8296 105 S 4.1475 8.2454 115.0094 61.5277 62.7138 176.9103 106 I 3.7278 7.7909 122.5117 64.5701 36.8996 178.0587 107 C 4.0492 8.3102 117.8733 62.9959 27.8918 176.0716 108 S 4.1013 8.3863 114.8182 61.6331 61.7081 176.3528 109 L 3.9859 7.6843 120.2750 57.7297 41.3621 179.2139 110 L 4.1235 7.6224 118.3603 57.7800 41.5600 179.0923 111 C 4.6247 8.0141 115.9972 61.5592 29.2322 174.0712 112 D 4.7936 8.0742 120.8885 50.7760 41.0115 173.5737 113 P 4.0665 0.0000 0.0000 62.4870 32.1857 176.0169 114 N 4.6992 8.8104 119.6034 51.0218 39.0058 173.4262 115 P 4.3547 0.0000 0.0000 64.7671 31.7780 177.4168 116 D 4.5237 8.1883 118.1308 55.8682 41.1640 176.5209 117 D 4.8687 7.5159 120.1712 52.1161 40.3703 175.2652 118 P 4.5486 0.0000 0.0000 61.3197 30.2225 176.8152 119 L 3.9412 7.7923 125.5326 57.8264 42.9186 176.5786 120 V 4.2038 7.4937 118.9893 59.5266 31.6399 173.5165 121 P 4.2155 0.0000 0.0000 65.4408 31.2985 177.3893 122 E 3.9130 8.1824 117.1879 59.6191 29.5007 178.8885 123 I 3.6577 7.5865 118.9329 63.9384 37.1999 177.9984 124 A 3.9208 7.9773 121.7773 55.0773 18.1822 179.5479 125 R 3.8142 8.1848 117.2383 59.7753 30.1669 178.6495 126 I 3.7297 7.7602 119.5018 64.7154 36.9235 177.7698 127 Y 3.7895 8.4222 119.4203 60.4685 38.5803 177.8273 128 K 4.0092 8.0216 120.0203 58.6674 32.4834 177.9585 129 T 4.5302 7.9472 106.7951 61.2367 71.6406 173.9289 130 D 4.7827 8.1966 121.5634 52.0128 41.9918 176.1278 131 R 3.8689 7.8420 121.7856 59.3932 30.6003 176.8619 132 D 4.3660 8.1118 118.6056 56.4925 39.1926 178.6070 133 K 3.9136 7.8696 120.4981 59.2080 32.2892 177.8294 134 Y 4.2257 8.1288 119.8621 61.0002 38.6912 178.0631 135 N 4.0107 8.3972 117.2415 56.0833 38.6391 177.4423 136 R 3.7721 7.6820 119.5108 59.5183 30.1934 178.7125 137 I 3.4608 7.3118 119.5280 64.2230 36.9402 178.5037 138 S 3.9523 7.5070 116.0780 61.7330 62.6042 177.1123 139 R 4.1680 7.7003 121.8387 58.5751 29.6424 179.0960 140 E 3.9816 8.2118 118.4566 59.4012 29.4863 179.4668 141 W 4.4140 8.9128 119.3503 59.9556 28.9405 178.8487 142 T 4.2074 8.2811 115.9283 66.8849 67.7688 176.6559 143 Q 4.0183 7.8390 118.3627 58.9508 28.8375 178.6269 144 K 3.8320 8.1056 119.5382 58.8234 32.2250 177.5416 145 Y 4.7415 8.1778 114.5547 57.6474 39.8468 176.3507 146 A 4.5958 8.1760 121.0942 51.7136 19.6232 176.2816 147 M 4.3383 7.8570 122.7308 56.2931 32.8470 175.4970 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 -7 P 0.00 4.30 0.00 2.17 2.10 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.98 0.00 -6 L 8.06 4.16 0.00 1.73 1.63 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 -5 G 8.19 3.99 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 0.00 0.00 0.00 -4 S 8.30 4.39 0.00 3.93 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 -3 P 0.00 4.52 0.00 2.27 2.20 0.00 3.84 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 -2 E 8.22 4.47 0.00 2.38 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 0.00 2.40 2.44 0.00 -1 F 8.19 4.20 0.00 3.06 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 -6 M 8.18 4.30 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.60 0.00 -5 A 8.10 4.35 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 -4 L 8.15 4.26 0.00 1.66 1.59 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 -3 K 8.58 4.42 0.00 1.82 2.01 0.00 1.89 0.00 0.00 1.79 0.00 0.00 2.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.40 7.81 -2 R 8.03 4.46 0.00 2.18 1.94 0.00 2.21 0.00 0.00 3.15 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 -1 I 7.89 3.75 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 1.08 0.91 0.00 0.00 7 N 7.97 4.45 0.00 2.91 2.84 0.00 0.00 6.73 6.95 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 8 K 7.90 3.92 0.00 1.86 1.96 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.64 1.52 7.81 9 E 8.15 4.00 0.00 2.08 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 2.46 2.63 0.00 10 L 8.18 4.10 0.00 2.16 1.90 0.43 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.03 4.10 0.00 3.96 3.99 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 12 D 8.40 4.41 0.00 2.98 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 13 L 8.33 4.03 0.00 1.97 1.77 1.29 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.74 4.01 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 15 R 7.84 4.13 0.00 1.97 2.01 0.00 3.13 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 16 D 8.17 4.74 0.00 2.56 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 17 P 0.00 4.46 0.00 2.08 2.00 0.00 3.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.27 0.00 18 P 0.00 4.44 0.00 2.24 2.22 0.00 3.87 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 2.10 2.01 0.00 19 A 8.37 3.52 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 20 Q 8.31 4.63 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 21 C 8.36 5.90 0.00 2.95 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 22 S 7.93 4.85 0.00 3.78 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 23 A 7.86 4.88 1.43 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 0.00 0.00 0.00 24 G 8.27 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 0.00 0.00 0.00 25 P 0.00 4.82 0.00 1.99 2.03 0.00 2.99 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.80 0.00 26 V 8.35 4.12 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 0.63 0.00 0.00 0.76 0.00 0.00 27 G 8.72 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 28 D 8.68 4.49 0.00 2.66 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 29 D 7.77 4.84 0.00 2.89 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 30 M 8.82 4.39 0.00 1.99 2.18 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 31 F 9.14 4.53 0.00 3.24 3.19 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 32 H 8.82 5.46 0.00 3.50 3.29 0.00 5.73 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 W 9.58 5.44 0.00 3.17 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 34 Q 8.97 5.24 0.00 2.14 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 35 A 8.97 5.39 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 36 T 8.86 4.64 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 0.87 0.00 0.00 37 I 8.51 4.94 1.82 0.00 0.00 0.76 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 0.55 0.94 0.00 0.00 38 M 8.51 4.85 0.00 1.93 2.01 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 2.60 2.53 0.00 39 G 9.44 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.55 0.00 2.33 2.08 0.00 3.80 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 41 N 8.81 4.61 0.00 2.75 2.92 0.00 0.00 7.01 8.06 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 42 D 8.11 4.83 0.00 2.83 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 43 S 7.73 4.84 0.00 4.18 4.09 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 44 P 0.00 4.12 0.00 1.48 2.17 0.00 3.71 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 1.61 2.05 0.00 45 Y 7.65 4.95 0.00 3.31 3.36 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 46 Q 7.91 4.23 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.60 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 47 G 9.29 4.11 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 0.00 0.00 0.00 48 G 8.39 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 0.00 0.00 0.00 49 V 8.26 4.67 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 0.45 0.00 0.00 0.89 0.00 0.00 50 F 9.25 5.02 0.00 2.89 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 51 F 9.25 5.14 0.00 2.96 2.95 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 52 L 8.90 5.19 0.00 1.41 1.40 0.73 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 53 T 9.00 5.11 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 1.17 0.00 0.00 54 I 8.92 4.69 1.74 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.66 -0.11 0.00 0.00 55 H 8.99 5.25 0.00 2.96 3.13 0.00 5.80 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.69 4.49 0.00 2.76 2.57 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 57 P 0.00 4.63 0.00 2.54 2.20 0.00 3.78 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 2.36 2.18 0.00 58 T 8.52 4.11 4.16 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 1.12 0.00 0.00 59 D 8.13 5.03 0.00 3.11 3.04 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 60 Y 7.95 4.41 0.00 3.17 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 61 P 0.00 3.49 0.00 1.75 1.39 0.00 3.01 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.48 0.00 62 F 7.86 4.48 0.00 3.29 3.24 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 63 K 7.76 4.75 0.00 1.74 1.64 0.00 1.81 0.00 0.00 1.86 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.45 7.81 64 P 0.00 2.97 0.00 1.76 1.62 0.00 3.64 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 1.78 1.88 0.00 65 P 0.00 4.17 0.00 1.43 1.14 0.00 2.46 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 66 K 8.72 4.26 0.00 1.71 1.62 0.00 1.53 0.00 0.00 1.52 0.00 0.00 2.70 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.32 7.81 67 V 8.31 4.86 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 0.81 0.00 0.00 0.80 0.00 0.00 68 A 8.85 5.09 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 69 F 9.32 4.66 0.00 2.90 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 70 T 9.42 4.70 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 1.27 0.00 0.00 71 T 8.09 4.76 4.75 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 0.00 0.00 1.36 0.00 0.00 72 R 8.73 4.04 0.00 1.36 1.32 0.00 2.21 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 73 I 8.27 4.94 2.03 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.95 0.53 0.00 0.00 74 Y 8.95 4.06 0.00 1.78 2.54 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 75 H 7.80 4.76 0.00 3.11 2.84 0.00 5.92 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.27 0.00 2.08 2.21 0.00 3.16 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 1.65 1.47 0.00 77 N 8.28 4.78 0.00 2.66 2.73 0.00 0.00 6.89 7.32 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 78 I 7.59 5.21 1.40 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.15 0.38 0.00 0.00 79 N 8.28 4.91 0.00 2.91 2.92 0.00 0.00 6.28 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.45 4.28 0.00 3.92 3.99 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 81 N 8.17 4.41 0.00 2.88 2.88 0.00 0.00 7.08 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 82 G 8.29 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 83 S 8.05 4.45 0.00 4.09 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 84 I 8.06 4.72 1.89 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 1.35 0.86 0.90 0.00 0.00 85 C 9.00 4.38 0.00 2.89 2.81 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 0.00 0.00 0.00 86 L 7.80 4.78 0.00 1.70 1.53 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.97 4.44 0.00 2.72 2.75 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 0.00 0.00 0.00 88 I 7.71 3.86 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.68 0.92 0.00 0.00 89 L 7.86 4.50 0.00 1.84 1.74 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.81 4.48 0.00 1.90 1.16 0.00 3.16 0.00 0.00 3.27 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 91 S 9.30 4.36 0.00 4.01 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 92 Q 7.90 4.55 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.99 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 93 W 8.13 4.37 0.00 3.52 3.04 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 94 S 6.75 4.51 0.00 3.78 3.68 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 95 P 0.00 4.08 0.00 1.89 1.82 0.00 3.62 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 96 A 6.92 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 6.96 4.02 0.00 0.27 0.97 0.46 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 98 T 7.87 5.17 4.47 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 1.21 0.00 0.00 99 I 9.93 3.78 1.99 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.75 1.01 0.00 0.00 100 S 8.30 4.15 0.00 3.95 3.93 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 0.00 101 K 8.06 3.93 0.00 1.94 1.89 0.00 1.57 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.49 7.81 102 V 8.07 3.68 2.32 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 1.01 0.00 0.00 1.22 0.00 0.00 103 L 8.34 4.03 0.00 1.89 1.72 1.01 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.15 4.00 0.00 1.85 1.74 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.25 4.15 0.00 4.13 3.93 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 0.00 106 I 7.79 3.73 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.78 1.05 0.00 0.00 107 C 8.31 4.05 0.00 3.13 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 0.00 108 S 8.39 4.10 0.00 3.98 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 0.00 109 L 7.68 3.99 0.00 1.81 1.62 0.85 0.84 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 0.00 110 L 7.62 4.12 0.00 1.77 1.74 0.45 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.01 4.62 0.00 3.14 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 0.00 112 D 8.07 4.79 0.00 2.58 2.57 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 0.00 113 P 0.00 4.07 0.00 0.49 1.18 0.00 3.47 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.92 0.00 114 N 8.81 4.70 0.00 2.67 2.60 0.00 0.00 7.22 8.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.35 0.00 2.27 2.34 0.00 3.82 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.23 0.00 116 D 8.19 4.52 0.00 2.92 2.75 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 0.00 0.00 0.00 117 D 7.52 4.87 0.00 2.72 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 0.00 118 P 0.00 4.55 0.00 2.15 2.06 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 119 L 7.79 3.94 0.00 1.56 1.84 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.49 4.20 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 0.87 0.00 0.00 0.85 0.00 0.00 121 P 0.00 4.22 0.00 2.18 2.10 0.00 3.64 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.27 0.00 122 E 8.18 3.91 0.00 2.04 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 2.43 2.45 0.00 123 I 7.59 3.66 1.57 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.20 0.43 0.00 0.00 124 A 7.98 3.92 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 0.00 125 R 8.18 3.81 0.00 1.88 2.09 0.00 3.12 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 126 I 7.76 3.73 2.03 0.00 0.00 1.00 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 0.64 1.07 0.00 0.00 127 Y 8.42 3.79 0.00 2.56 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 0.00 128 K 8.02 4.01 0.00 1.92 1.94 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.40 7.81 129 T 7.95 4.53 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 1.23 0.00 0.00 130 D 8.20 4.78 0.00 2.76 2.59 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 0.00 131 R 7.84 3.87 0.00 1.67 1.83 0.00 2.39 0.00 0.00 2.62 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 132 D 8.11 4.37 0.00 2.90 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 0.00 133 K 7.87 3.91 0.00 1.86 2.07 0.00 1.75 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.48 7.81 134 Y 8.13 4.23 0.00 3.30 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 0.00 135 N 8.40 4.01 0.00 2.95 2.79 0.00 0.00 6.69 7.25 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 0.00 136 R 7.68 3.77 0.00 1.84 1.83 0.00 3.17 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 137 I 7.31 3.46 0.79 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 1.28 0.24 -0.41 0.00 0.00 138 S 7.51 3.95 0.00 3.19 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 0.00 139 R 7.70 4.17 0.00 2.03 1.94 0.00 3.10 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.50 0.00 140 E 8.21 3.98 0.00 2.24 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 0.00 2.34 2.41 0.00 141 W 8.91 4.41 0.00 3.52 3.68 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 0.00 142 T 8.28 4.21 4.57 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 1.48 0.00 0.00 143 Q 7.84 4.02 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 144 K 8.11 3.83 0.00 1.37 1.35 0.00 1.25 0.00 0.00 1.38 0.00 0.00 2.80 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.30 0.21 7.81 145 Y 8.18 4.74 0.00 3.14 2.95 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 0.00 146 A 8.18 4.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 M 7.86 4.34 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.66 0.00