NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1958 8.3049 120.3267 54.9957 33.1745 175.1104 2 F 4.5266 8.0777 122.1401 58.3404 39.9033 174.6351 3 C 4.1347 10.6498 119.5072 61.2290 27.3237 175.1899 4 E 4.0818 7.7455 122.6882 59.1889 28.7978 179.2376 5 K 3.9909 8.0046 117.2384 59.2136 32.3315 178.7142 6 A 4.0488 7.9189 120.6874 55.4469 18.2771 179.4003 7 M 4.0111 7.7992 116.7903 58.5542 31.9670 178.7885 8 E 3.9453 7.9418 118.2905 59.2145 29.3647 179.3950 9 L 3.6801 7.5332 118.9981 57.6865 41.6504 179.5648 10 I 3.8204 7.6195 119.0592 64.6406 37.2202 178.5497 11 R 3.9592 8.3039 119.1884 59.0621 29.6044 178.6749 12 E 3.9143 7.9168 118.2594 59.3147 29.9533 178.7046 13 L 4.1328 7.7017 118.7317 58.2397 41.5812 179.0727 14 H 4.0639 8.1586 116.3805 59.0091 29.7605 176.8027 15 R 4.4145 7.8366 118.1765 56.6925 30.2016 176.2575 16 A 4.0946 7.6416 121.9345 50.9012 18.0455 175.5213 17 P 4.4201 0.0000 0.0000 63.4187 32.3234 175.8704 18 E 3.7701 9.5991 115.1368 57.5532 26.9327 175.7197 19 G 3.9388 8.2741 102.2588 46.5548 0.0000 174.6705 20 Q 4.1039 8.3458 118.0918 55.3561 29.1929 176.1384 21 L 4.4968 8.1001 121.3316 52.5274 42.9425 174.4001 22 P 4.4741 0.0000 0.0000 61.3198 32.4403 175.9603 23 A 4.1123 8.0331 121.5383 52.0425 18.6483 177.4348 24 F 4.1307 8.6097 124.4119 58.9700 40.1517 176.4390 25 N 4.6049 8.3080 127.8130 51.6991 35.9750 174.8682 26 E 4.1763 8.2911 125.0377 59.4400 30.1023 178.1692 27 D 4.4674 8.2183 118.0397 57.4463 40.9761 179.0578 28 G 3.5033 8.8866 106.2409 47.7161 0.0000 175.3164 29 L 3.8345 7.8683 123.3333 57.6230 42.0652 178.9570 30 R 3.8684 8.3441 118.9173 59.7279 30.0977 178.3708 31 Q 3.9898 8.3738 118.1631 59.0226 28.6766 179.3382 32 V 3.5694 7.8555 119.1052 66.0419 31.7012 178.1750 33 L 4.0373 8.1025 118.7661 57.6796 41.2814 179.4872 34 E 3.9705 8.3843 118.8527 59.3283 29.4334 178.8010 35 E 3.9173 8.2393 119.3705 59.5043 29.5358 178.8817 36 M 3.9764 8.0851 118.7774 58.0627 32.0534 178.4684 37 K 3.8944 7.9651 119.3865 59.5960 32.4105 178.5320 38 A 4.0311 8.2071 121.0641 55.2218 18.2966 179.6225 39 L 3.8035 8.0025 117.4502 57.9364 41.6857 179.0652 40 Y 4.1404 8.2704 119.6749 60.7805 38.7469 178.0741 41 E 3.7842 8.3033 119.3515 59.5900 29.7475 179.3563 42 Q 3.9932 8.1009 118.0134 59.0259 28.7686 178.5469 43 N 4.3576 8.2401 118.0400 56.4855 38.9563 177.1352 44 Q 3.8301 7.8333 119.9983 58.6790 28.7751 178.6810 45 S 4.0932 7.9651 115.3893 61.6668 63.0271 176.3758 46 D 4.3560 7.9840 122.1898 56.6720 40.3944 178.9514 47 V 3.5000 7.7927 118.8742 66.1591 31.6013 177.6869 48 N 4.2522 8.1347 116.1793 56.5372 38.1908 177.0531 49 E 4.0583 8.1280 119.0762 58.8565 29.7311 178.2069 50 A 4.3362 7.6690 120.1443 54.2817 18.7737 179.1121 51 K 4.2899 8.1612 118.3923 57.7002 32.4711 176.7085 52 S 4.4702 8.1230 115.3481 60.1570 63.2581 173.8705 53 G 4.0798 8.6942 113.3825 44.8427 0.0000 173.2972 54 G 4.0844 8.3840 107.9047 45.8458 0.0000 174.3087 55 R 4.4285 7.9203 119.2468 55.7288 29.5796 177.5862 56 S 4.5451 8.0006 110.4933 59.0807 62.8019 174.7464 57 D 4.7405 7.8567 119.6200 53.5705 39.6131 177.7124 58 L 4.4171 7.5841 120.0993 55.9123 42.0393 178.1685 59 I 3.7044 7.8021 120.3203 64.3226 37.1016 176.0816 60 P 4.3311 0.0000 0.0000 65.8965 31.1686 178.7822 61 T 4.0899 7.7824 114.1215 66.2613 68.4984 177.0170 62 I 4.4721 8.1170 123.7258 64.0131 37.1024 178.6298 63 K 4.0865 8.5273 119.7859 59.1557 31.9204 179.1135 64 F 3.9694 8.2617 120.8981 61.6354 39.3833 177.5779 65 R 4.1164 8.3809 117.5383 59.2751 29.8970 178.6201 66 H 4.1876 8.3057 118.3353 59.5304 29.8821 177.1935 67 C 4.0873 8.4241 118.9461 62.8999 27.9221 176.3226 68 S 4.0827 7.9040 116.4542 61.2589 62.3073 176.7459 69 L 3.9666 7.7132 122.0495 57.6472 41.2958 179.4130 70 L 3.9665 7.7462 118.7934 57.5831 41.4662 179.5213 71 R 3.8432 8.1206 118.8936 59.3635 29.4842 178.3736 72 N 4.2967 8.0897 116.3861 56.3088 38.5579 177.4231 73 R 3.8992 7.9442 120.1677 59.1820 30.0397 178.5742 74 R 3.8564 8.2077 118.7721 59.7262 30.0623 178.3557 75 C 4.1619 8.2300 116.5844 62.9728 28.0785 176.3473 76 T 3.8681 8.0953 117.4077 66.7333 68.0596 176.9969 77 V 3.6371 7.9592 119.9221 65.7717 31.5178 177.8161 78 A 4.0232 8.3385 120.8627 55.3312 18.2874 178.7872 79 Y 4.0395 8.2958 118.2225 61.1164 39.0071 178.5754 80 L 3.8289 8.1736 119.7296 57.6877 41.7096 178.9483 81 Y 3.9951 8.2489 119.7521 60.6206 38.7548 177.3274 82 D 4.1086 8.1282 118.9616 57.4905 41.2494 178.4332 83 R 3.7052 7.4153 117.9046 59.2059 29.9680 179.0630 84 L 3.3797 7.2469 118.2742 57.3842 41.3468 179.5341 85 L 3.7502 7.2605 118.9130 57.7329 41.2606 179.8322 86 R 3.9232 7.7028 117.1203 59.2188 30.2423 178.8564 87 I 3.8786 7.9541 120.1752 64.2443 36.8677 178.4303 88 R 4.0130 8.5237 119.9381 59.4012 29.9120 178.4400 89 A 4.2088 7.9249 120.2983 55.1351 18.3436 179.4835 90 L 4.2787 7.9436 117.3666 58.1481 41.5924 179.6954 91 R 4.5590 8.2633 120.0284 58.8238 29.8230 178.5004 92 W 4.2865 8.4722 117.2174 58.9340 29.3923 177.6678 93 E 4.3466 8.5538 117.5825 57.9970 29.5234 177.2207 94 Y 4.5088 8.9627 114.8446 58.8763 39.6799 175.7395 95 G 3.9114 8.3037 105.2264 44.2103 0.0000 173.9232 96 S 4.1386 8.5798 113.6182 60.4374 63.1272 174.2876 97 V 4.2783 7.6743 119.6529 60.8513 32.0763 174.9542 98 L 4.2269 8.1506 127.3362 53.4818 42.7350 175.7854 99 P 4.4365 0.0000 0.0000 61.8513 33.4907 177.5886 100 N 3.4514 8.2805 116.4090 56.1290 38.1000 177.2059 101 A 3.8149 7.7045 120.5256 55.3238 18.5818 179.3161 102 L 3.9673 7.3981 116.2803 57.8707 42.0364 179.4565 103 R 3.8484 7.6095 117.8576 59.3571 29.8311 178.9990 104 F 4.7073 8.4425 115.6709 59.9170 39.2076 175.6131 105 H 4.9175 8.3400 117.0644 55.8518 29.2827 174.2968 106 M 4.9835 7.6719 119.4408 53.5756 33.7806 176.5169 107 A 4.0429 8.7599 123.8982 51.4862 20.6098 178.9695 108 A 3.9735 8.2847 122.7046 55.3464 18.4482 180.2067 109 E 4.0401 7.9627 116.6088 59.2844 29.4862 179.1787 110 E 4.0833 7.8751 118.6103 59.5397 29.5785 178.7093 111 M 4.1306 8.1022 118.3202 58.5626 32.2653 177.9451 112 E 4.0028 8.2327 119.5611 58.8336 29.7306 178.5554 113 W 4.0716 8.4613 128.5800 60.4289 30.7386 177.6661 114 F 4.2953 9.0020 120.9524 61.6506 38.8645 176.9095 115 N 4.3075 8.7479 116.2494 56.0913 38.3090 177.3224 116 N 4.2136 8.2196 118.1948 56.1701 38.5178 176.7489 117 Y 3.6072 7.6359 121.1207 60.5077 38.8330 177.9895 118 K 3.3849 7.8275 120.8063 59.3685 32.1086 178.6849 119 R 3.7578 7.7402 118.9320 59.4067 30.0333 178.6895 120 S 4.0204 7.8771 115.0359 61.2449 62.6547 176.4839 121 L 3.7680 7.6963 123.0999 57.9702 41.7985 178.7635 122 A 3.8834 7.6899 120.7358 55.4815 18.0193 179.8339 123 T 3.7612 7.5544 113.2113 66.7269 68.8823 176.0093 124 Y 4.2300 7.9871 121.3686 61.2302 38.7857 178.1306 125 M 3.8572 8.3844 119.7536 58.5208 31.8182 178.9781 126 R 3.9590 7.8107 117.2559 58.2072 30.3328 178.0302 127 S 4.4789 7.3177 112.0064 59.2942 63.3899 175.7221 128 L 4.2385 7.6723 122.8966 55.1887 41.3702 176.3553 129 G 3.7572 7.7626 109.1841 45.4798 0.0000 172.8524 130 G 3.8693 8.3430 113.3930 45.2334 0.0000 173.5040 131 D 4.3070 8.5797 127.7349 54.3663 38.6704 172.6927 132 E 4.7363 8.2851 127.4508 56.4413 32.9408 177.0407 133 G 3.7532 9.9803 106.8110 44.6908 0.0000 171.6969 134 L 4.2957 8.1915 120.7182 53.6941 44.8477 175.9719 135 D 4.5067 8.6642 126.5620 53.5945 40.0814 175.6521 136 I 4.3752 8.1863 118.8794 61.2700 37.8971 176.9509 137 T 4.3651 8.2312 111.2674 63.0424 69.1525 174.6954 138 Q 4.4263 7.5392 121.4471 54.9596 30.9838 174.4075 139 D 4.4330 8.4533 115.6901 56.1194 37.7949 175.0368 140 M 4.3315 7.9750 117.5208 57.0268 32.9375 177.4185 141 K 4.7186 7.6122 116.7003 53.2355 35.8156 174.2030 142 P 4.4310 0.0000 0.0000 61.7248 31.8971 174.3374 143 P 4.1594 0.0000 0.0000 63.1672 31.7297 176.5860 144 K 4.1619 8.6046 120.5358 57.1607 32.7433 176.7210 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 4.20 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.67 0.00 2 F 8.08 4.53 0.00 3.35 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 3 C 10.65 4.13 0.00 3.15 3.07 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 4 E 7.75 4.08 0.00 2.14 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 2.42 2.48 0.00 5 K 8.00 3.99 0.00 1.71 1.83 0.00 1.77 0.00 0.00 1.84 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.52 7.81 6 A 7.92 4.05 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 M 7.80 4.01 0.00 2.01 2.28 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.87 0.00 8 E 7.94 3.95 0.00 2.15 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 2.45 2.47 0.00 9 L 7.53 3.68 0.00 1.59 1.07 0.51 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.62 3.82 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.15 0.93 0.00 0.00 11 R 8.30 3.96 0.00 1.82 1.98 0.00 3.12 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 12 E 7.92 3.91 0.00 2.12 2.17 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 2.35 2.36 0.00 13 L 7.70 4.13 0.00 1.94 1.71 0.81 0.84 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 14 H 8.16 4.06 0.00 3.30 3.35 0.00 5.74 0.00 0.00 0.00 0.00 7.09 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 4.41 0.00 2.07 1.98 0.00 3.34 0.00 0.00 3.24 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 16 A 7.64 4.09 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.42 0.00 2.23 2.20 0.00 3.83 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 18 E 9.60 3.77 0.00 2.06 2.06 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 2.24 2.29 0.00 19 G 8.27 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 0.00 0.00 0.00 20 Q 8.35 4.10 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 21 L 8.10 4.50 0.00 1.50 1.54 0.85 0.90 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 22 P 0.00 4.47 0.00 2.20 2.04 0.00 3.81 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 1.99 1.97 0.00 23 A 8.03 4.11 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.61 4.13 0.00 3.04 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 25 N 8.31 4.60 0.00 2.64 2.29 0.00 0.00 6.86 7.89 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 26 E 8.29 4.18 0.00 2.14 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 2.65 2.74 0.00 27 D 8.22 4.47 0.00 2.66 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 28 G 8.89 3.50 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 29 L 7.87 3.83 0.00 1.60 1.86 0.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.34 3.87 0.00 2.03 2.04 0.00 3.17 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 31 Q 8.37 3.99 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 32 V 7.86 3.57 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 0.99 0.00 0.00 0.92 0.00 0.00 33 L 8.10 4.04 0.00 1.88 1.70 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.38 3.97 0.00 2.19 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 2.34 2.55 0.00 35 E 8.24 3.92 0.00 2.08 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 2.20 2.33 0.00 36 M 8.09 3.98 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.49 0.00 37 K 7.97 3.89 0.00 1.86 2.01 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.52 7.81 38 A 8.21 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.00 3.80 0.00 1.78 1.59 0.57 -0.63 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 40 Y 8.27 4.14 0.00 2.99 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 41 E 8.30 3.78 0.00 2.07 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 2.38 2.60 0.00 42 Q 8.10 3.99 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 43 N 8.24 4.36 0.00 3.07 2.71 0.00 0.00 7.19 6.07 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 44 Q 7.83 3.83 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.58 0.00 0.00 0.00 0.00 0.00 1.95 1.55 0.00 45 S 7.97 4.09 0.00 4.03 4.08 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 D 7.98 4.36 0.00 2.89 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 47 V 7.79 3.50 2.17 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 1.09 0.00 0.00 0.92 0.00 0.00 48 N 8.13 4.25 0.00 2.89 2.84 0.00 0.00 6.75 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 49 E 8.13 4.06 0.00 2.04 2.17 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 2.31 2.31 0.00 50 A 7.67 4.34 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.16 4.29 0.00 1.72 2.02 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.48 7.81 52 S 8.12 4.47 0.00 3.95 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 53 G 8.69 4.08 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 0.00 0.00 0.00 54 G 8.38 4.08 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 0.00 0.00 0.00 55 R 7.92 4.43 0.00 1.89 2.05 0.00 3.35 0.00 0.00 3.26 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.59 0.00 56 S 8.00 4.55 0.00 3.90 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 57 D 7.86 4.74 0.00 2.82 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 58 L 7.58 4.42 0.00 1.70 1.74 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.80 3.70 1.88 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 1.64 0.81 0.92 0.00 0.00 60 P 0.00 4.33 0.00 2.18 2.14 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 61 T 7.78 4.09 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 62 I 8.12 4.47 2.05 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 1.54 1.63 0.91 0.00 0.00 63 K 8.53 4.09 0.00 1.85 1.91 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.62 7.81 64 F 8.26 3.97 0.00 3.43 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 65 R 8.38 4.12 0.00 2.15 1.98 0.00 3.32 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.98 0.00 66 H 8.31 4.19 0.00 3.40 3.52 0.00 5.78 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 67 C 8.42 4.09 0.00 2.93 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 68 S 7.90 4.08 0.00 3.95 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 69 L 7.71 3.97 0.00 1.86 1.67 1.02 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.75 3.97 0.00 1.79 1.64 0.79 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.12 3.84 0.00 1.97 1.88 0.00 3.23 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 72 N 8.09 4.30 0.00 2.89 2.81 0.00 0.00 6.66 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 73 R 7.94 3.90 0.00 1.86 2.03 0.00 3.07 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 74 R 8.21 3.86 0.00 1.96 2.04 0.00 3.13 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 75 C 8.23 4.16 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 76 T 8.10 3.87 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 1.25 0.00 0.00 77 V 7.96 3.64 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 1.04 0.00 0.00 1.02 0.00 0.00 78 A 8.34 4.02 1.44 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 0.00 0.00 79 Y 8.30 4.04 0.00 3.06 3.20 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 80 L 8.17 3.83 0.00 1.81 1.74 1.04 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 8.25 4.00 0.00 3.07 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 82 D 8.13 4.11 0.00 2.88 2.64 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 0.00 0.00 0.00 0.00 83 R 7.42 3.71 0.00 1.74 1.87 0.00 2.37 0.00 0.00 2.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.17 0.00 84 L 7.25 3.38 0.00 1.22 0.43 0.38 -0.55 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 85 L 7.26 3.75 0.00 1.63 1.50 0.68 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.70 3.92 0.00 1.82 2.07 0.00 3.06 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 87 I 7.95 3.88 1.91 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 1.36 1.26 1.20 0.00 0.00 88 R 8.52 4.01 0.00 1.94 2.08 0.00 3.27 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.68 0.00 89 A 7.92 4.21 1.44 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 0.00 0.00 90 L 7.94 4.28 0.00 1.98 1.74 0.73 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.26 4.56 0.00 2.10 2.37 0.00 3.34 0.00 0.00 3.02 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.12 0.00 92 W 8.47 4.29 0.00 3.51 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.55 4.35 0.00 2.16 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 2.36 2.60 0.00 94 Y 8.96 4.51 0.00 3.02 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 95 G 8.30 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 S 8.58 4.14 0.00 3.89 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 97 V 7.67 4.28 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 0.83 0.00 0.00 0.96 0.00 0.00 98 L 8.15 4.23 0.00 1.40 1.23 -0.22 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.44 0.00 1.96 1.88 0.00 3.17 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.18 0.00 100 N 8.28 3.45 0.00 2.34 1.77 0.00 0.00 6.65 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 0.00 101 A 7.70 3.81 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 0.00 102 L 7.40 3.97 0.00 1.49 1.44 -0.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 103 R 7.61 3.85 0.00 1.68 1.96 0.00 3.07 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.45 0.00 104 F 8.44 4.71 0.00 2.95 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 0.00 105 H 8.34 4.92 0.00 3.36 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 M 7.67 4.98 0.00 2.00 2.08 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 2.69 2.43 0.00 107 A 8.76 4.04 0.35 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 0.00 0.00 0.00 108 A 8.28 3.97 1.29 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 0.00 109 E 7.96 4.04 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 2.38 2.46 0.00 110 E 7.88 4.08 0.00 2.17 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 2.37 2.25 0.00 111 M 8.10 4.13 0.00 2.32 2.08 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.63 0.00 112 E 8.23 4.00 0.00 2.28 2.19 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 2.36 2.35 0.00 113 W 8.46 4.07 0.00 3.62 3.45 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 0.00 114 F 9.00 4.30 0.00 3.46 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.75 4.31 0.00 2.82 2.85 0.00 0.00 7.06 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 0.00 116 N 8.22 4.21 0.00 2.67 2.67 0.00 0.00 6.56 7.09 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 0.00 117 Y 7.64 3.61 0.00 1.89 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 7.83 3.38 0.00 1.16 1.50 0.00 1.56 0.00 0.00 1.40 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.24 1.23 7.81 119 R 7.74 3.76 0.00 1.93 1.92 0.00 3.10 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 1.53 1.58 0.00 120 S 7.88 4.02 0.00 3.77 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 0.00 121 L 7.70 3.77 0.00 1.05 1.35 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.69 3.88 1.29 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 0.00 123 T 7.55 3.76 4.36 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 1.19 0.00 0.00 124 Y 7.99 4.23 0.00 3.02 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 0.00 125 M 8.38 3.86 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.67 0.00 126 R 7.81 3.96 0.00 1.73 1.93 0.00 3.10 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 127 S 7.32 4.48 0.00 3.98 3.97 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 L 7.67 4.24 0.00 1.58 1.51 0.77 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.76 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 G 8.34 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 D 8.58 4.31 0.00 2.72 2.66 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 0.00 132 E 8.29 4.74 0.00 1.83 1.86 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 2.01 2.15 0.00 133 G 9.98 3.75 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 0.00 0.00 0.00 134 L 8.19 4.30 0.00 1.49 1.46 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 135 D 8.66 4.51 0.00 2.68 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 0.00 136 I 8.19 4.38 2.06 0.00 0.00 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 1.64 1.07 1.03 0.00 0.00 137 T 8.23 4.37 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 0.57 0.00 0.00 138 Q 7.54 4.43 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 139 D 8.45 4.43 0.00 2.85 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 0.00 140 M 7.97 4.33 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.70 0.00 141 K 7.61 4.72 0.00 1.70 1.67 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.40 7.81 142 P 0.00 4.43 0.00 2.18 2.06 0.00 3.81 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 1.99 1.99 0.00 143 P 0.00 4.16 0.00 2.06 2.08 0.00 3.68 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 2.04 2.12 0.00 144 K 8.60 4.16 0.00 1.86 1.79 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.43 7.81