NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9695 8.3549 109.7386 45.5503 0.0000 172.6685 2 L 4.3981 8.2079 119.3073 51.1619 43.6422 175.3735 3 S 4.5220 9.5511 118.8730 57.7966 66.2560 174.9863 4 D 4.6518 8.7305 121.8309 57.6413 40.5527 179.2648 5 G 3.7121 8.1443 105.6239 47.9176 0.0000 175.4497 6 E 3.9154 8.1967 120.8791 58.9257 29.4813 179.3195 7 W 4.3842 8.1366 119.0536 59.9130 29.1104 178.2484 8 Q 4.0802 8.4299 119.4180 59.2897 28.3936 178.4454 9 Q 4.0097 8.1228 118.9627 58.9675 28.8282 178.6550 10 V 3.6982 8.0452 119.4685 66.4500 31.3447 178.0052 11 L 4.3381 8.0839 116.1901 56.8820 41.8694 178.7115 12 N 4.5010 8.2112 117.8305 56.6757 38.9123 176.8861 13 V 3.6112 8.1296 119.9257 65.9494 31.6080 177.7908 14 W 4.1145 8.5989 127.8884 60.0267 30.2362 178.0002 15 G 3.6953 7.7346 104.8430 47.6792 0.0000 175.5026 16 K 3.9657 7.9806 120.7549 59.2615 32.0174 179.5803 17 V 2.7129 6.9056 117.8966 65.6983 31.1065 177.7642 18 E 3.8749 7.5485 116.6165 58.7601 29.2892 178.7465 19 A 4.1958 7.3070 119.2935 53.7929 19.5577 177.6186 20 D 4.6676 7.7819 116.6451 52.1285 42.5621 175.2143 21 I 3.6206 7.8088 123.4618 63.7353 38.5584 176.6378 22 A 4.1518 7.4038 122.6054 54.5903 18.3272 179.7303 23 G 3.5656 8.2385 105.5667 47.6790 0.0000 175.7264 24 H 4.1366 8.3249 118.9311 58.3292 28.6979 178.1162 25 G 3.5539 8.4199 107.9367 47.7843 0.0000 175.2526 26 Q 3.8515 8.3667 122.9067 59.0416 28.9699 178.5381 27 E 3.8524 8.1481 119.3489 59.1807 29.3469 179.4843 28 V 3.5181 7.9095 118.4851 66.0920 31.5212 178.1833 29 L 3.4171 7.6825 118.6027 57.5743 41.3354 179.5869 30 I 3.5933 7.7627 120.0888 64.0812 36.9875 178.4273 31 R 3.7871 8.1574 119.9975 59.2007 29.9470 178.2132 32 L 3.9238 7.8513 120.2065 58.4578 41.8731 179.1101 33 F 4.6222 8.0995 118.1484 60.5996 38.5886 177.8823 34 T 4.0946 8.0308 109.0782 64.5552 68.9207 176.9807 35 G 3.6513 7.9395 107.6446 46.3431 0.0000 173.6805 36 H 4.7824 8.0545 117.6866 52.0497 30.0955 171.8731 37 P 4.5075 0.0000 0.0000 64.4235 31.2795 177.4803 38 E 4.1172 8.2553 116.4621 59.5093 29.4009 179.1650 39 T 3.8595 8.2445 111.3093 64.5449 68.8321 176.2969 40 L 3.5797 7.8536 122.7332 57.8667 41.7886 178.7213 41 E 4.1589 7.8636 117.4495 58.6553 29.4387 178.7158 42 K 4.4549 8.1233 117.3835 56.7901 32.6193 176.6810 43 F 4.6212 8.0312 118.9935 55.4627 38.9717 175.9019 44 D 4.4020 8.6967 127.4908 57.1324 40.7625 178.7683 45 K 4.0988 7.7973 114.8736 57.5210 33.1491 176.9206 46 F 5.1147 7.9067 117.6868 57.1312 40.6361 176.8952 47 K 4.1023 7.6429 119.6140 58.9712 32.5335 178.0181 48 H 4.2596 8.1304 114.7653 57.8906 28.7798 175.1588 49 L 4.1353 7.3775 119.6732 54.9332 40.3736 176.6611 50 K 4.2382 8.9323 124.6715 57.6384 32.9139 178.0152 51 T 4.7374 7.3668 107.9996 58.8981 73.1832 174.2327 52 E 3.9161 8.6749 121.4346 59.2834 29.6275 178.8735 53 A 3.9477 7.9199 120.5740 55.1385 18.2924 179.2729 54 E 3.9501 8.0806 116.1195 59.6427 29.8089 179.2101 55 M 4.1421 8.0405 118.6802 58.4982 31.8768 178.9145 56 K 3.9056 8.5018 117.1915 59.0286 32.3089 178.2962 57 A 4.5704 7.6415 118.0180 51.1888 19.1552 176.9682 58 S 4.3586 7.5902 114.1701 57.4620 62.5152 174.7172 59 E 4.0577 8.7619 128.6104 59.0839 29.2280 178.5504 60 D 4.5129 8.1607 117.9922 56.8891 41.3576 177.8002 61 L 3.7064 8.0030 121.0821 57.7362 42.0259 178.8445 62 K 3.8999 7.8409 119.7511 59.1428 32.1839 178.6136 63 K 3.9272 8.1677 119.9992 60.0094 32.0774 178.2439 64 H 4.3844 8.8115 118.7502 59.1608 29.7919 177.2828 65 G 3.6694 8.3801 107.7528 48.2105 0.0000 175.7763 66 T 3.9176 8.0622 117.9920 66.2839 68.4492 176.9925 67 V 3.7103 7.6812 120.0935 65.9055 31.5859 178.2776 68 V 3.6025 8.0451 118.2493 66.2393 31.4045 178.1214 69 L 4.3004 8.0708 118.4911 57.7708 41.3971 179.6742 70 T 3.9882 8.0999 115.9906 66.4668 68.4884 176.4655 71 A 3.9680 8.0726 122.6867 55.0969 18.3777 179.3261 72 L 3.7173 8.0934 118.9873 58.2330 42.0949 179.3683 73 G 3.0994 8.4575 106.0068 47.4943 0.0000 175.7842 74 G 3.5993 7.7462 107.0922 47.6306 0.0000 175.5932 75 I 3.8588 7.4188 122.0225 64.1061 37.1432 178.5595 76 L 3.9761 7.8404 120.1112 57.6204 41.1751 179.4727 77 K 3.9924 7.6050 116.7579 58.1575 32.2551 178.5304 78 K 3.9884 7.8329 118.3280 55.6246 32.6850 176.4627 79 K 2.0000 8.2723 118.2081 56.3749 29.7598 175.9709 80 G 3.8786 7.8222 106.0948 45.7316 0.0000 173.8439 81 H 4.5473 7.2622 119.2685 55.3503 27.4419 174.8825 82 H 5.4988 7.3258 110.5415 54.0317 29.8986 175.8399 83 E 3.9241 8.6941 122.2693 60.3652 28.9888 178.6758 84 A 4.0102 7.9106 118.4686 55.1675 18.9248 178.9350 85 E 4.1091 8.1303 116.6904 59.0597 29.6473 178.8032 86 L 4.1009 8.3088 120.6748 57.2499 42.2273 178.3547 87 K 3.8274 8.1932 120.2089 59.2851 32.0027 176.9060 88 P 4.2820 0.0000 0.0000 65.7516 31.1619 178.3691 89 L 4.0294 7.9273 118.1266 57.5288 41.6910 178.8502 90 A 4.1603 8.2199 120.9286 55.4725 18.2326 179.8068 91 Q 3.8430 8.2609 116.6411 59.0968 28.7639 179.1088 92 S 3.9928 8.3889 115.6731 61.7417 63.0948 176.1824 93 H 4.1928 8.6013 119.5623 57.9585 28.3829 177.7104 94 A 2.5800 7.6670 122.7401 54.7122 17.9974 179.5862 95 T 3.7886 7.3765 112.5197 65.1570 68.9537 176.1984 96 K 4.0742 7.4151 119.8290 58.7110 32.8317 177.1270 97 H 4.3640 7.8424 113.4918 55.7824 29.4884 175.3063 98 K 3.6865 7.4149 116.8385 56.2938 28.9586 176.2097 99 I 4.3089 8.0745 119.1106 58.9633 38.1829 175.1045 100 P 4.5395 0.0000 0.0000 62.1930 31.9828 177.6275 101 I 3.4524 8.4485 120.6215 63.9302 37.7098 178.0224 102 K 3.6209 7.9663 120.2191 59.7842 31.8545 178.0419 103 Y 4.1635 8.0548 116.8562 60.6991 37.7607 178.0716 104 L 4.2132 7.8023 119.8265 57.3258 41.7929 178.7919 105 E 3.9192 8.0004 119.5362 59.2951 29.6294 178.6830 106 F 4.5286 7.9639 117.8707 61.0198 39.0240 177.6604 107 I 3.8793 8.1708 117.9235 63.8786 37.8676 178.0760 108 S 4.2175 8.2408 116.3637 61.8327 62.7005 176.3697 109 D 4.4798 8.4488 121.2799 57.3084 40.4915 178.7545 110 A 4.0527 8.2054 121.3635 55.1890 18.3738 179.7176 111 I 3.7029 8.0198 118.3680 64.5978 37.3064 178.7665 112 I 3.8796 7.7982 120.2546 64.5815 36.8850 177.9677 113 H 4.1886 8.4931 119.1436 59.4027 29.6987 177.4681 114 V 3.5077 8.2488 120.4324 65.8480 31.3400 177.9469 115 L 3.8094 7.8414 118.7365 58.1046 41.2643 179.2237 116 H 4.3447 8.0748 115.7325 58.9835 28.4124 177.9011 117 S 4.1367 7.9695 114.2280 61.0642 62.3186 175.8117 118 K 4.1026 8.1541 119.9358 57.5799 33.2268 176.6507 119 H 4.9595 7.9743 116.1819 53.6236 29.4094 171.9848 120 P 4.5340 0.0000 0.0000 63.7615 31.8007 177.4553 121 G 3.9808 9.2162 110.9926 45.5464 0.0000 172.9090 122 D 4.9213 8.3551 117.5155 53.6531 41.6480 175.8896 123 F 5.0135 7.9502 120.4252 55.4081 39.3538 175.1188 124 G 3.8241 8.1152 112.7859 43.3524 0.0000 170.8931 125 A 3.8975 8.3729 122.0267 55.0197 18.3067 179.7049 126 D 4.2160 7.9853 116.9155 56.5063 39.4614 178.4324 127 A 3.9834 7.8386 121.8780 54.8910 18.3820 179.2019 128 Q 3.5520 7.9211 118.5072 58.9063 29.0177 178.5158 129 G 3.5941 8.0369 106.5536 47.8479 0.0000 175.5266 130 A 3.8570 8.0257 123.5632 54.9710 18.4460 179.4260 131 M 4.0134 8.3102 116.9318 59.0135 32.2213 178.6165 132 T 3.9180 8.2263 116.1926 66.5591 68.6633 176.6926 133 K 3.9775 8.1206 120.1817 59.5262 32.0632 179.2337 134 A 3.8897 8.0670 121.0388 55.1289 18.2017 179.7419 135 L 4.1084 8.1808 117.5645 57.8191 41.6808 179.5671 136 E 3.9971 8.5206 118.9868 59.1132 29.3049 179.0054 137 L 3.9738 8.1036 120.4610 58.0678 42.1743 178.5511 138 F 4.1503 8.3844 120.5380 61.6280 39.2359 177.0719 139 R 3.5583 8.3779 118.2578 59.3396 29.8638 178.0122 140 N 4.2392 8.6418 117.3098 56.7098 38.8177 176.7319 141 D 4.3583 8.3337 120.5876 57.2055 40.8251 178.7398 142 I 3.5211 7.6124 120.2118 64.2562 36.9561 178.2599 143 A 3.7478 8.0222 121.5221 54.9730 18.1161 179.4943 144 A 3.9386 7.9208 119.2300 55.3967 18.5601 180.0894 145 K 4.0342 7.9359 116.9768 59.6541 32.0482 179.2626 146 Y 4.1170 8.4393 117.4943 61.0001 37.8328 178.5351 147 K 4.0317 8.4857 120.7880 59.3701 32.0747 178.2425 148 E 3.9551 7.9893 118.7586 59.4098 29.6515 178.3510 149 L 4.2888 7.7265 115.7583 54.6009 41.9456 177.2026 150 G 3.8522 7.9548 106.9658 46.5834 0.0000 173.6846 151 F 4.3026 8.5840 127.7642 57.7788 39.3640 174.9379 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 G 8.35 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 0.00 0.00 0.00 2 L 8.21 4.40 0.00 0.49 0.74 0.55 -0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.55 4.52 0.00 4.04 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 4 D 8.73 4.65 0.00 2.77 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 5 G 8.14 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 0.00 0.00 0.00 6 E 8.20 3.92 0.00 2.03 1.73 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 2.23 2.27 0.00 7 W 8.14 4.38 0.00 3.57 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 8 Q 8.43 4.08 0.00 2.21 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 9 Q 8.12 4.01 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.51 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 10 V 8.05 3.70 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 1.19 0.00 0.00 0.87 0.00 0.00 11 L 8.08 4.34 0.00 1.77 1.80 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.21 4.50 0.00 2.94 3.01 0.00 0.00 6.64 7.72 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 13 V 8.13 3.61 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 0.92 0.00 0.00 1.19 0.00 0.00 14 W 8.60 4.11 0.00 3.64 3.12 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 0.00 0.00 0.00 15 G 7.73 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 0.00 0.00 0.00 16 K 7.98 3.97 0.00 1.62 1.46 0.00 1.41 0.00 0.00 0.91 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.25 1.35 7.81 17 V 6.91 2.71 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 0.11 0.00 0.00 0.11 0.00 0.00 18 E 7.55 3.87 0.00 1.89 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 2.30 2.28 0.00 19 A 7.31 4.20 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 20 D 7.78 4.67 0.00 2.71 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.81 3.62 1.80 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 1.58 1.09 0.89 0.00 0.00 22 A 7.40 4.15 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.24 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 0.00 0.00 0.00 24 H 8.32 4.14 0.00 3.17 3.21 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.42 3.55 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 0.00 0.00 0.00 26 Q 8.37 3.85 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 27 E 8.15 3.85 0.00 1.96 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 2.25 2.40 0.00 28 V 7.91 3.52 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 1.09 0.00 0.00 0.94 0.00 0.00 29 L 7.68 3.42 0.00 1.49 0.80 0.85 0.61 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 30 I 7.76 3.59 1.77 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 1.35 0.66 0.86 0.00 0.00 31 R 8.16 3.79 0.00 1.92 2.10 0.00 3.04 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 32 L 7.85 3.92 0.00 1.77 1.45 1.05 1.35 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 33 F 8.10 4.62 0.00 2.98 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 34 T 8.03 4.09 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 1.23 0.00 0.00 35 G 7.94 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.05 4.78 0.00 3.03 3.15 0.00 5.64 0.00 0.00 0.00 0.00 6.85 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 4.51 0.00 2.15 2.11 0.00 3.84 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 38 E 8.26 4.12 0.00 2.31 2.30 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 2.25 2.57 0.00 39 T 8.24 3.86 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 40 L 7.85 3.58 0.00 1.49 1.76 -0.08 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.86 4.16 0.00 2.21 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 0.00 2.39 2.54 0.00 42 K 8.12 4.45 0.00 1.93 1.76 0.00 1.94 0.00 0.00 1.79 0.00 0.00 3.19 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.77 1.99 7.81 43 F 8.03 4.62 0.00 3.26 2.85 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 44 D 8.70 4.40 0.00 2.67 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 45 K 7.80 4.10 0.00 1.61 1.73 0.00 1.34 0.00 0.00 1.50 0.00 0.00 2.29 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.91 0.21 7.81 46 F 7.91 5.11 0.00 2.80 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 47 K 7.64 4.10 0.00 1.90 1.96 0.00 1.62 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.68 1.40 7.81 48 H 8.13 4.26 0.00 3.31 3.50 0.00 5.53 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.38 4.14 0.00 1.62 1.60 0.78 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.93 4.24 0.00 1.75 1.85 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.62 1.51 7.81 51 T 7.37 4.74 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 52 E 8.67 3.92 0.00 2.04 1.97 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 2.35 2.35 0.00 53 A 7.92 3.95 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.08 3.95 0.00 2.12 2.04 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 2.36 2.35 0.00 55 M 8.04 4.14 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.54 0.00 56 K 8.50 3.91 0.00 1.85 1.86 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.56 1.58 7.81 57 A 7.64 4.57 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 58 S 7.59 4.36 0.00 4.04 3.89 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 59 E 8.76 4.06 0.00 2.05 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 2.42 2.32 0.00 60 D 8.16 4.51 0.00 2.91 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 61 L 8.00 3.71 0.00 1.38 1.66 0.71 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.84 3.90 0.00 1.82 1.95 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.59 7.81 63 K 8.17 3.93 0.00 2.05 2.12 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.51 7.81 64 H 8.81 4.38 0.00 3.64 3.58 0.00 5.85 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.38 3.67 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 0.00 0.00 0.00 66 T 8.06 3.92 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 1.23 0.00 0.00 67 V 7.68 3.71 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 1.04 0.00 0.00 1.02 0.00 0.00 68 V 8.05 3.60 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 1.07 0.00 0.00 0.97 0.00 0.00 69 L 8.07 4.30 0.00 1.81 1.85 0.83 0.88 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 70 T 8.10 3.99 4.49 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 0.00 0.00 0.00 1.26 0.00 0.00 71 A 8.07 3.97 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 72 L 8.09 3.72 0.00 1.63 1.81 0.12 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.46 3.10 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 74 G 7.75 3.60 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 75 I 7.42 3.86 1.89 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.67 0.96 0.00 0.00 76 L 7.84 3.98 0.00 1.27 1.53 -0.00 1.01 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 77 K 7.61 3.99 0.00 1.78 1.78 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.14 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.47 7.81 78 K 7.83 3.99 0.00 1.82 1.81 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.57 1.74 7.81 79 K 8.27 2.00 0.00 1.20 0.74 0.00 1.39 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.56 1.03 7.81 80 G 7.82 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 0.00 0.00 0.00 81 H 7.26 4.55 0.00 3.16 3.23 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.33 5.50 0.00 3.27 3.42 0.00 5.67 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 83 E 8.69 3.92 0.00 2.12 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 2.40 2.48 0.00 84 A 7.91 4.01 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.13 4.11 0.00 2.22 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 2.39 2.43 0.00 86 L 8.31 4.10 0.00 1.75 1.68 0.71 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.19 3.83 0.00 1.93 1.86 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.48 7.81 88 P 0.00 4.28 0.00 2.33 2.31 0.00 3.69 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 2.23 2.07 0.00 89 L 7.93 4.03 0.00 1.92 1.77 1.04 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 90 A 8.22 4.16 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.26 3.84 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 92 S 8.39 3.99 0.00 3.95 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.60 4.19 0.00 3.51 3.56 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.67 2.58 0.18 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 95 T 7.38 3.79 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 1.09 0.00 0.00 96 K 7.42 4.07 0.00 1.52 1.62 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.19 1.33 7.81 97 H 7.84 4.36 0.00 3.04 3.14 0.00 5.86 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.41 3.69 0.00 1.93 1.99 0.00 1.82 0.00 0.00 2.42 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.35 7.81 99 I 8.07 4.31 2.10 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.94 1.18 0.00 0.00 100 P 0.00 4.54 0.00 1.73 1.71 0.00 2.44 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.76 0.00 101 I 8.45 3.45 1.61 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.04 0.83 0.00 0.00 102 K 7.97 3.62 0.00 1.75 1.64 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.18 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 0.56 7.81 103 Y 8.05 4.16 0.00 3.21 3.10 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 0.00 104 L 7.80 4.21 0.00 1.77 1.74 0.65 1.00 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 0.00 105 E 8.00 3.92 0.00 1.98 1.97 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 2.38 2.38 0.00 106 F 7.96 4.53 0.00 3.25 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 0.00 107 I 8.17 3.88 2.03 0.00 0.00 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 1.60 1.40 1.13 0.00 0.00 108 S 8.24 4.22 0.00 4.20 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 0.00 109 D 8.45 4.48 0.00 3.00 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 0.00 110 A 8.21 4.05 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.02 3.70 2.11 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 1.58 0.76 1.00 0.00 0.00 112 I 7.80 3.88 2.15 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 1.71 1.52 1.15 0.00 0.00 113 H 8.49 4.19 0.00 3.31 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.25 3.51 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 0.95 0.00 0.00 0.99 0.00 0.00 115 L 7.84 3.81 0.00 1.36 0.46 0.49 0.75 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 0.00 116 H 8.07 4.34 0.00 3.41 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.97 4.14 0.00 3.71 3.89 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 0.00 118 K 8.15 4.10 0.00 1.53 1.44 0.00 1.53 0.00 0.00 1.23 0.00 0.00 2.51 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.25 1.35 7.81 119 H 7.97 4.96 0.00 3.22 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.53 0.00 2.19 2.09 0.00 3.47 0.00 0.00 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 121 G 9.22 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.36 4.92 0.00 2.63 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.95 5.01 0.00 2.77 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 0.00 124 G 8.12 3.82 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 0.00 0.00 0.00 125 A 8.37 3.90 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.99 4.22 0.00 2.93 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 0.00 127 A 7.84 3.98 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 0.00 128 Q 7.92 3.55 0.00 1.23 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 129 G 8.04 3.59 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 0.00 130 A 8.03 3.86 1.34 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 0.00 0.00 131 M 8.31 4.01 0.00 2.40 2.31 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.83 0.00 132 T 8.23 3.92 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 133 K 8.12 3.98 0.00 1.80 1.67 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.51 7.81 134 A 8.07 3.89 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.18 4.11 0.00 1.90 1.82 1.01 0.75 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 0.00 136 E 8.52 4.00 0.00 2.16 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 2.35 2.47 0.00 137 L 8.10 3.97 0.00 1.91 1.98 1.06 0.99 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 0.00 138 F 8.38 4.15 0.00 3.13 3.27 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 0.00 139 R 8.38 3.56 0.00 2.12 2.02 0.00 3.17 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 140 N 8.64 4.24 0.00 2.92 2.90 0.00 0.00 7.23 8.43 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 0.00 141 D 8.33 4.36 0.00 2.78 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 0.00 142 I 7.61 3.52 1.48 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 1.11 0.14 0.39 0.00 0.00 143 A 8.02 3.75 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 0.00 144 A 7.92 3.94 1.38 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 0.00 0.00 0.00 145 K 7.94 4.03 0.00 1.95 1.92 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.63 7.81 146 Y 8.44 4.12 0.00 3.14 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 0.00 147 K 8.49 4.03 0.00 1.85 1.97 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.99 3.96 0.00 2.04 2.21 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 2.33 2.37 0.00 149 L 7.73 4.29 0.00 1.78 1.63 0.77 0.83 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 0.00 150 G 7.95 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 0.00 151 F 8.58 4.30 0.00 2.70 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