NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3912 8.3044 120.3249 55.7258 32.1562 174.0293 2 H 4.0858 8.3197 122.0173 53.9812 28.3461 170.9343 3 L 4.6426 7.6006 124.9738 52.5260 43.9585 176.4185 4 T 4.0259 8.7256 117.8629 61.0558 70.6837 173.0916 5 P 4.2302 0.0000 0.0000 65.9689 31.3171 178.8380 6 E 3.9124 8.0239 116.5510 59.4292 29.5567 178.7434 7 E 3.8385 7.9642 118.4453 59.5659 29.7389 179.1958 8 K 3.7458 8.3233 119.6841 59.9096 31.9904 178.7565 9 S 4.0392 8.1109 114.7164 61.6479 62.3410 176.2379 10 A 3.9651 8.5125 123.6739 56.1905 18.0335 178.8773 11 V 3.5728 8.6413 117.3683 64.5540 31.1142 178.1067 12 T 3.9322 7.8456 117.4412 67.1338 69.1336 175.4731 13 A 4.0778 8.3003 122.3655 55.3999 18.2438 179.0975 14 L 3.7562 7.8526 116.5033 58.1712 42.3389 179.4567 15 W 4.2970 8.5543 127.8040 60.0720 30.3922 177.4635 16 G 3.8942 8.1560 103.9962 46.1520 0.0000 173.9864 17 K 4.4748 7.9779 119.2385 56.2155 33.4629 176.9769 18 V 3.6523 7.1723 119.1456 62.5244 32.0159 176.0383 19 N 4.6141 7.9686 124.2104 51.9235 38.4474 175.6628 20 V 3.7591 7.8603 120.9747 63.6887 31.1350 177.7368 21 D 4.4011 8.0437 118.7857 57.1114 40.5022 178.0558 22 E 3.9203 8.8447 120.0895 59.2170 29.9271 178.8926 23 V 3.6069 8.1471 118.6996 65.5446 31.5050 178.2285 24 G 3.7225 7.8524 104.6521 47.1859 0.0000 175.9845 25 G 3.6218 7.4640 104.7522 47.9165 0.0000 175.4088 26 E 3.9239 7.8269 121.3615 58.8847 29.3739 179.5889 27 A 4.0039 7.7998 120.0300 55.1980 18.5942 179.5145 28 L 3.8973 7.7986 118.5537 58.1946 42.1575 178.8843 29 G 3.6411 8.0511 105.6731 48.0701 0.0000 175.4174 30 R 3.8287 8.7265 121.5273 58.5435 30.2986 178.5996 31 L 3.9244 8.4402 120.3719 58.6134 41.7966 179.3079 32 L 4.0069 7.7457 116.7151 57.0730 41.5081 179.1053 33 V 3.7932 7.0984 117.0900 65.2598 31.8968 177.7868 34 V 3.5364 7.7854 116.4871 64.1530 31.9254 175.3162 35 Y 4.1817 6.8559 116.4356 63.0844 38.8030 179.7643 36 A 3.5557 7.2111 123.2512 54.5984 20.4592 179.3840 37 W 4.4053 8.0266 111.7502 59.6874 28.6752 176.8869 38 T 4.8541 7.3895 110.8477 61.6682 67.3309 174.7273 39 Q 4.6739 7.6322 119.0974 56.8377 31.8041 177.9402 40 R 3.8761 7.9104 112.7691 57.6069 29.1401 176.8636 41 F 4.7960 7.6407 115.4335 57.5611 41.0137 175.1127 42 F 4.5866 8.2638 120.9018 56.4819 39.5181 176.0600 43 E 4.2070 8.3291 118.2332 58.1709 29.5767 177.4742 44 S 4.5426 7.9386 113.2568 59.2545 63.5283 174.4149 45 F 4.7168 8.8130 119.8825 57.1867 39.6374 177.9576 46 G 3.8331 7.9420 108.8261 44.8890 0.0000 172.4603 47 D 4.4149 8.6824 119.5113 55.4340 41.5499 178.5287 48 L 4.7194 8.2209 127.8774 53.7237 42.6647 176.3811 49 S 4.6329 7.9485 112.5694 58.8427 64.6875 174.5967 50 T 4.7226 7.3485 110.7458 58.2630 72.9557 172.4838 51 P 4.1916 0.0000 0.0000 66.3041 31.2539 178.6294 52 D 4.3289 8.1493 116.5027 57.2498 40.4467 178.7570 53 A 3.9884 7.7216 120.6547 54.9548 18.7624 179.5956 54 V 3.6723 7.7841 116.6928 66.6429 31.4881 178.2912 55 M 4.0239 8.2669 117.3806 57.8159 31.8806 177.6384 56 G 3.8385 7.5159 105.1132 45.4250 0.0000 173.8292 57 N 4.3620 7.8500 120.2492 52.8652 39.8178 173.4572 58 P 4.1931 0.0000 0.0000 65.7101 31.5293 178.8152 59 K 3.6226 7.8322 116.8049 59.0130 31.7137 179.6604 60 V 3.4838 7.3926 118.0290 65.9453 31.7523 177.8076 61 K 3.8151 7.9316 117.9897 59.5955 32.0327 179.0993 62 A 3.9523 8.1774 121.0051 55.4147 18.2918 179.2254 63 H 4.3316 8.3169 116.9734 59.4071 29.9452 177.7264 64 G 3.5907 8.5541 108.0619 47.5889 0.0000 175.4197 65 K 3.9228 7.7695 120.9428 59.1227 32.4448 178.3832 66 K 4.0656 7.8793 119.5000 59.5875 32.1861 178.6320 67 V 3.6278 7.8582 118.3078 66.3371 31.3890 178.0923 68 L 4.3735 8.5043 118.7773 57.4502 41.2636 179.9330 69 G 3.6735 8.2322 105.9655 47.8448 0.0000 175.6573 70 A 4.1503 8.1246 121.9397 54.7252 18.6312 179.0585 71 F 4.1081 8.4847 119.1156 61.7603 39.7217 177.3197 72 S 3.9332 8.8335 115.0289 62.1256 62.1914 176.6972 73 D 4.6482 8.6014 121.4605 56.8473 40.6680 178.9014 74 G 3.4618 8.7344 107.0611 47.2512 0.0000 175.7518 75 L 3.9331 7.1487 118.4388 56.5446 41.5448 178.1078 76 A 4.4708 7.0104 118.5569 51.6401 20.2694 177.9275 77 H 4.8081 7.5373 115.1283 55.6779 30.6956 174.6605 78 L 3.9275 7.6037 120.0912 57.2292 42.2732 178.2729 79 D 4.6739 7.8694 115.9965 54.6320 41.4722 176.3951 80 N 4.9229 7.7356 119.6787 50.7556 39.5531 176.2270 81 L 3.8000 8.1710 120.0915 57.6391 41.7633 178.7076 82 K 3.9755 8.1329 117.0034 59.6309 32.3156 179.0764 83 G 3.6456 8.0463 104.8730 48.3302 0.0000 175.5040 84 T 3.6832 7.2617 117.4241 65.4922 68.6263 175.4200 85 F 5.0134 7.7244 116.6499 56.8742 39.5208 177.0892 86 A 4.0611 8.0213 122.9546 55.7694 18.1180 180.3632 87 T 3.9251 8.0151 107.2238 64.1550 68.9417 175.3848 88 L 4.4183 7.7708 121.6950 55.9835 42.8003 178.1379 89 S 4.1493 8.5846 113.9194 61.6378 62.4217 175.3737 90 E 3.9125 8.1221 121.3664 59.5648 29.2796 179.2901 91 L 3.9007 7.6797 119.8517 58.7411 42.2193 178.9118 92 H 4.2202 8.2439 115.1264 58.4962 28.0061 176.9043 93 C 3.4244 7.5600 120.5972 61.7749 31.2135 175.2532 94 D 4.2828 8.5296 120.4829 56.8770 40.5940 177.7084 95 K 4.1807 7.7781 117.0535 57.2832 33.0177 177.4240 96 L 4.2882 7.5880 115.6789 53.9398 43.3344 175.5998 97 H 4.0288 7.1690 114.3535 56.7206 26.5143 175.0020 98 V 4.0201 7.7426 117.4714 60.7812 33.2716 174.5016 99 D 4.4276 8.6340 127.0237 53.4369 41.6424 174.7257 100 P 3.2589 0.0000 0.0000 65.5286 31.0087 177.7345 101 E 4.1756 8.9789 117.8657 58.5339 29.3885 177.5357 102 N 4.6304 8.1165 115.4020 54.1314 38.9821 176.6480 103 F 4.7786 8.2729 121.0924 60.1647 39.1059 178.0390 104 R 4.0404 7.6756 117.6961 59.0234 29.7788 178.8591 105 L 3.9458 7.8876 118.3105 57.9327 41.7312 179.2680 106 L 4.1318 7.7727 118.8137 58.1042 41.9474 179.2365 107 G 3.7047 8.1169 105.6012 47.6737 0.0000 175.3293 108 N 4.5787 8.3614 118.5630 55.7106 38.7668 177.7814 109 V 3.6908 8.1753 120.2727 65.6581 31.5220 177.6263 110 L 3.8398 7.9934 120.4256 58.0676 41.9025 178.7764 111 V 3.5679 7.7172 117.5934 66.5237 31.3413 178.0020 112 C 4.0101 8.0404 116.0728 62.8703 28.0612 176.2999 113 V 3.5416 7.6644 119.7282 65.8343 31.0338 178.0556 114 L 3.9508 8.1385 119.1051 57.6628 41.4029 179.3443 115 A 3.6689 6.9579 120.2607 54.9436 17.9387 179.2124 116 H 4.0941 7.6845 116.4951 59.5564 29.9671 176.9253 117 H 4.0528 7.7492 117.1079 58.4057 28.7123 177.1709 118 F 4.5472 8.2846 117.8306 57.4554 39.7710 178.2324 119 G 3.7388 8.5498 108.0327 45.8518 0.0000 176.4216 120 K 3.5641 9.0764 120.9935 59.9978 32.2224 177.7233 121 E 4.0208 8.2664 118.8468 58.6310 30.3133 176.7310 122 F 4.5299 8.8669 124.1935 57.2987 38.4599 175.9251 123 T 4.0872 7.4143 113.7429 61.0109 70.9774 173.0603 124 P 4.1556 0.0000 0.0000 65.5248 31.7612 176.7367 125 P 4.3263 0.0000 0.0000 65.5752 31.3331 178.4977 126 V 3.5012 7.7557 116.6074 66.3773 31.1112 177.4332 127 Q 3.7559 7.6153 118.5702 59.3030 28.8965 178.4330 128 A 3.8699 8.0624 121.3974 54.8737 18.2756 179.5977 129 A 3.8690 7.7234 118.9389 55.6014 18.5426 179.3214 130 Y 3.7850 8.0832 115.3881 61.2716 37.9771 178.8213 131 Q 4.1655 9.0179 119.6391 58.9398 28.9204 179.0452 132 K 4.0138 7.9171 119.1192 59.4039 32.0700 179.6445 133 V 3.5694 7.9690 118.6905 66.0929 31.4581 178.6022 134 V 3.8740 8.4645 112.4346 64.2658 31.3587 178.2709 135 A 4.1308 8.3067 120.8382 55.1208 18.1080 179.9931 136 G 3.4523 7.9861 103.5973 48.0537 0.0000 176.0430 137 V 3.4244 7.8749 121.2802 65.5042 31.5211 177.9233 138 A 3.9325 8.7108 120.7726 55.2553 18.2323 179.4252 139 N 4.3478 8.2320 114.8712 56.0996 38.3514 177.4808 140 A 4.0334 8.5131 121.9996 55.4167 18.6761 179.5591 141 L 3.9336 7.6134 115.4536 57.3885 41.2780 178.9639 142 A 4.2847 7.8958 119.6115 53.6697 18.6711 177.9452 143 H 4.5903 8.0400 115.1073 56.9531 30.0029 175.3486 144 K 4.5426 7.4935 116.2735 56.9982 32.7048 175.7063 145 Y 4.4034 7.8295 116.9416 58.0105 38.5499 175.4333 146 H 4.5066 8.1156 117.6845 55.9501 28.7374 173.1007 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 4.39 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 2 H 8.32 4.09 0.00 3.18 3.23 0.00 5.69 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.60 4.64 0.00 1.54 1.48 0.86 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 4 T 8.73 4.03 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 1.29 0.00 0.00 5 P 0.00 4.23 0.00 2.15 2.13 0.00 3.57 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 6 E 8.02 3.91 0.00 1.95 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 2.33 0.00 7 E 7.96 3.84 0.00 2.13 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 2.29 2.30 0.00 8 K 8.32 3.75 0.00 1.79 1.96 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.44 7.81 9 S 8.11 4.04 0.00 4.10 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 10 A 8.51 3.97 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 11 V 8.64 3.57 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 0.72 0.00 0.00 0.55 0.00 0.00 12 T 7.85 3.93 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 1.25 0.00 0.00 13 A 8.30 4.08 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 14 L 7.85 3.76 0.00 1.79 2.07 0.09 1.12 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 15 W 8.55 4.30 0.00 3.77 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 16 G 8.16 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 0.00 0.00 0.00 17 K 7.98 4.47 0.00 2.06 2.10 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.39 7.81 18 V 7.17 3.65 1.20 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 0.05 0.00 0.00 0.88 0.00 0.00 19 N 7.97 4.61 0.00 2.59 2.84 0.00 0.00 7.10 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.86 3.76 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 0.96 0.00 0.00 0.98 0.00 0.00 21 D 8.04 4.40 0.00 2.87 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 22 E 8.84 3.92 0.00 1.92 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 2.16 2.24 0.00 23 V 8.15 3.61 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 0.82 0.00 0.00 0.56 0.00 0.00 24 G 7.85 3.72 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 0.00 0.00 0.00 25 G 7.46 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 3.92 0.00 2.11 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 2.30 2.49 0.00 27 A 7.80 4.00 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 28 L 7.80 3.90 0.00 1.76 1.65 0.86 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.05 3.64 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 0.00 0.00 0.00 30 R 8.73 3.83 0.00 1.95 1.91 0.00 3.06 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 31 L 8.44 3.92 0.00 1.82 1.90 1.09 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.75 4.01 0.00 1.75 1.69 0.79 0.71 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 33 V 7.10 3.79 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 0.71 0.00 0.00 0.89 0.00 0.00 34 V 7.79 3.54 1.14 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 0.28 0.00 0.00 0.74 0.00 0.00 35 Y 6.86 4.18 0.00 2.72 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.21 3.56 1.35 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 37 W 8.03 4.41 0.00 3.55 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 38 T 7.39 4.85 4.44 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 0.71 0.00 0.00 39 Q 7.63 4.67 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 40 R 7.91 3.88 0.00 1.63 1.91 0.00 2.93 0.00 0.00 2.70 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 41 F 7.64 4.80 0.00 2.60 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 0.00 0.00 0.00 42 F 8.26 4.59 0.00 2.49 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 43 E 8.33 4.21 0.00 2.09 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 2.26 2.31 0.00 44 S 7.94 4.54 0.00 4.12 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.81 4.72 0.00 3.08 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 G 7.94 3.83 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 0.00 0.00 0.00 47 D 8.68 4.41 0.00 2.66 2.65 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 48 L 8.22 4.72 0.00 1.66 1.61 1.01 1.00 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 49 S 7.95 4.63 0.00 4.01 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 50 T 7.35 4.72 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 51 P 0.00 4.19 0.00 2.14 2.12 0.00 3.58 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 2.09 2.16 0.00 52 D 8.15 4.33 0.00 2.67 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 53 A 7.72 3.99 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 54 V 7.78 3.67 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 1.00 0.00 0.00 0.97 0.00 0.00 55 M 8.27 4.02 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.80 0.00 56 G 7.52 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 0.00 0.00 0.00 57 N 7.85 4.36 0.00 3.09 2.79 0.00 0.00 7.12 7.68 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 58 P 0.00 4.19 0.00 2.11 2.02 0.00 3.60 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 59 K 7.83 3.62 0.00 1.37 0.77 0.00 1.61 0.00 0.00 1.50 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.24 1.26 7.81 60 V 7.39 3.48 2.18 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 1.09 0.00 0.00 1.06 0.00 0.00 61 K 7.93 3.82 0.00 1.94 1.82 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.59 7.81 62 A 8.18 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 63 H 8.32 4.33 0.00 3.47 3.58 0.00 5.79 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 64 G 8.55 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 65 K 7.77 3.92 0.00 1.90 2.02 0.00 2.06 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.47 7.81 66 K 7.88 4.07 0.00 2.17 1.87 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.52 7.81 67 V 7.86 3.63 2.22 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 1.03 0.00 0.00 0.92 0.00 0.00 68 L 8.50 4.37 0.00 1.93 1.88 0.96 0.81 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 69 G 8.23 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 70 A 8.12 4.15 1.55 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 71 F 8.48 4.11 0.00 3.18 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 72 S 8.83 3.93 0.00 4.34 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.60 4.65 0.00 2.95 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 74 G 8.73 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 75 L 7.15 3.93 0.00 1.53 1.49 0.06 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.01 4.47 1.17 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 0.00 0.00 77 H 7.54 4.81 0.00 3.08 3.07 0.00 5.81 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.60 3.93 0.00 1.54 1.64 0.80 0.99 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 79 D 7.87 4.67 0.00 2.62 2.65 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 80 N 7.74 4.92 0.00 2.65 2.60 0.00 0.00 7.16 6.52 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 81 L 8.17 3.80 0.00 1.74 1.81 0.89 0.66 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 82 K 8.13 3.98 0.00 1.67 1.86 0.00 1.60 0.00 0.00 1.19 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.49 7.81 83 G 8.05 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 84 T 7.26 3.68 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 0.66 0.00 0.00 85 F 7.72 5.01 0.00 3.15 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 86 A 8.02 4.06 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 87 T 8.02 3.93 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 1.23 0.00 0.00 88 L 7.77 4.42 0.00 1.90 1.96 1.03 0.87 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 89 S 8.58 4.15 0.00 4.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.12 3.91 0.00 2.24 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 2.36 2.38 0.00 91 L 7.68 3.90 0.00 1.80 1.86 0.90 1.13 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 92 H 8.24 4.22 0.00 3.66 3.64 0.00 5.85 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.56 3.42 0.00 1.23 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 94 D 8.53 4.28 0.00 2.66 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 95 K 7.78 4.18 0.00 1.84 1.77 0.00 1.52 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.40 7.81 96 L 7.59 4.29 0.00 1.63 1.55 0.72 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.17 4.03 0.00 3.37 3.35 0.00 5.63 0.00 0.00 0.00 0.00 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.74 4.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.44 0.00 0.00 99 D 8.63 4.43 0.00 2.72 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 0.00 100 P 0.00 3.26 0.00 1.87 1.75 0.00 3.42 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.80 0.00 101 E 8.98 4.18 0.00 2.07 1.87 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 2.25 2.36 0.00 102 N 8.12 4.63 0.00 2.67 2.87 0.00 0.00 6.84 8.14 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 0.00 103 F 8.27 4.78 0.00 3.02 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 R 7.68 4.04 0.00 1.98 2.01 0.00 3.26 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 105 L 7.89 3.95 0.00 1.68 1.65 0.80 -0.22 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 0.00 106 L 7.77 4.13 0.00 1.90 1.78 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.12 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 0.00 108 N 8.36 4.58 0.00 3.01 2.97 0.00 0.00 6.59 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.18 3.69 2.25 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 1.04 0.00 0.00 1.17 0.00 0.00 110 L 7.99 3.84 0.00 1.82 1.80 0.84 0.43 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 0.00 111 V 7.72 3.57 2.29 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 1.33 0.00 0.00 1.22 0.00 0.00 112 C 8.04 4.01 0.00 3.24 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 0.00 113 V 7.66 3.54 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 1.01 0.00 0.00 0.92 0.00 0.00 114 L 8.14 3.95 0.00 0.99 1.61 0.58 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 115 A 6.96 3.67 1.02 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 0.00 0.00 116 H 7.68 4.09 0.00 3.19 3.38 0.00 5.75 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 7.75 4.05 0.00 2.71 2.59 0.00 5.70 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.28 4.55 0.00 3.13 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.55 3.74 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 0.00 0.00 0.00 120 K 9.08 3.56 0.00 1.91 2.05 0.00 1.64 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.46 7.81 121 E 8.27 4.02 0.00 2.09 2.18 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 2.29 2.34 0.00 122 F 8.87 4.53 0.00 3.00 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 0.00 123 T 7.41 4.09 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 1.33 0.00 0.00 124 P 0.00 4.16 0.00 2.03 2.19 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.24 0.00 125 P 0.00 4.33 0.00 2.11 2.06 0.00 3.60 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 126 V 7.76 3.50 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 0.99 0.00 0.00 0.87 0.00 0.00 127 Q 7.62 3.76 0.00 1.87 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.54 2.79 0.00 128 A 8.06 3.87 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 0.00 129 A 7.72 3.87 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 0.00 130 Y 8.08 3.79 0.00 3.42 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 0.00 131 Q 9.02 4.17 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.76 2.65 0.00 132 K 7.92 4.01 0.00 2.05 1.84 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.57 7.81 133 V 7.97 3.57 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 0.92 0.00 0.00 0.75 0.00 0.00 134 V 8.46 3.87 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 1.14 0.00 0.00 135 A 8.31 4.13 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 0.00 136 G 7.99 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 0.00 0.00 0.00 137 V 7.87 3.42 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 0.59 0.00 0.00 0.56 0.00 0.00 138 A 8.71 3.93 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.23 4.35 0.00 2.89 2.90 0.00 0.00 6.90 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 0.00 140 A 8.51 4.03 1.50 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 0.00 141 L 7.61 3.93 0.00 1.12 0.85 -0.32 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.90 4.28 1.39 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 0.00 0.00 143 H 8.04 4.59 0.00 3.20 3.60 0.00 5.90 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.49 4.54 0.00 1.91 1.84 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.56 7.81 145 Y 7.83 4.40 0.00 2.81 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 0.00 146 H 8.12 4.51 0.00 3.20 3.25 0.00 5.75 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