NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9332 8.3393 109.7346 45.4478 0.0000 172.5207 2 S 4.5290 7.3668 115.6092 53.6724 66.2355 172.5938 3 P 4.4180 0.0000 0.0000 62.7300 32.7257 176.8246 4 F 4.7788 7.9808 116.7749 56.6028 43.0044 174.5550 5 A 3.7735 8.8131 123.6500 53.6891 15.4882 176.2705 6 D 5.0936 7.5467 119.6922 50.3948 42.6997 175.3734 7 P 4.2031 0.0000 0.0000 64.3243 31.9535 176.1260 8 N 4.1074 8.1348 114.5181 53.9931 36.7424 174.2651 9 S 4.1760 7.8514 113.1197 58.9309 63.8429 175.1807 10 L 4.3725 8.1578 123.8899 53.5923 42.6847 176.9166 11 A 3.8532 8.4012 121.8783 52.9425 18.4252 174.5788 12 L 3.3247 7.9351 121.6071 55.0033 40.3628 172.9628 13 A 4.7610 8.2011 128.3444 50.1516 21.7183 174.5859 14 N 5.0114 8.3398 115.5172 52.0479 41.8563 173.8912 15 V 4.4896 8.0714 117.5429 58.5303 34.4309 173.9126 16 P 4.4983 0.0000 0.0000 63.0771 31.9736 175.4012 17 L 4.2878 7.8706 118.1217 54.5094 44.5926 174.1583 18 S 4.7831 8.3400 119.2951 57.0872 64.7061 172.8749 19 R 4.7435 7.9464 117.9250 55.1498 33.7319 174.8608 20 S 4.7376 8.2848 116.4614 57.0176 66.8467 173.0647 21 K 4.5417 8.1495 120.5189 56.4144 35.1296 174.7452 22 R 4.5437 7.9312 117.9655 54.0465 32.8542 173.1862 23 P 4.4429 0.0000 0.0000 62.3727 32.6285 174.4628 24 D 4.3510 7.6712 115.4556 52.7745 44.2011 174.1810 25 F 5.1917 7.8579 120.8235 56.1471 43.0816 173.8685 26 G 4.1429 8.3741 108.9206 46.1946 0.0000 172.5098 27 Q 4.4449 8.4567 115.9147 55.1105 30.9997 174.2497 28 R 4.3566 8.3192 122.8274 54.1392 31.8610 174.8030 29 R 4.0405 8.1892 116.7358 55.9004 29.5679 175.8741 30 I 3.9332 8.0421 118.7972 60.8627 36.7139 176.5370 31 R 4.3922 8.2561 125.0130 55.1552 31.6845 175.6828 32 R 4.6226 7.9126 117.3190 53.4629 32.6727 174.5562 33 P 3.8955 0.0000 0.0000 62.4858 31.9224 175.6601 34 F 5.0452 7.2528 115.0514 55.3193 40.9509 175.0337 35 T 4.6823 8.2033 117.5503 61.9494 71.4595 176.2223 36 V 3.7218 8.4965 123.6828 65.2482 31.0884 178.6758 37 A 3.9998 7.9247 120.5089 55.0181 18.4117 179.1986 38 E 3.9692 8.1915 116.6801 59.6218 29.6016 179.7425 39 V 3.4635 8.3525 118.5113 65.8263 31.5846 177.7501 40 E 3.9499 8.1720 118.3188 59.6529 29.4178 179.4937 41 L 4.0542 8.1148 118.7625 57.6083 41.7273 179.3066 42 L 3.9938 8.1721 120.4079 58.2711 42.0727 179.2406 43 V 3.6510 8.3720 118.4785 66.0650 31.5069 177.6251 44 E 4.1201 8.4148 118.8147 58.8900 29.1682 178.7419 45 A 3.9290 7.7702 120.6187 55.1858 18.8545 179.7171 46 V 3.5875 7.5174 117.1496 64.4226 31.1109 178.2964 47 E 3.8724 8.4866 120.5419 59.3890 29.3425 177.9294 48 H 3.7730 8.3286 117.8913 58.6016 29.8819 175.4211 49 L 4.0851 7.4159 116.9388 53.3401 42.1526 175.8950 50 G 3.0633 7.7318 108.6986 45.0744 0.0000 174.7571 51 T 4.6346 6.7522 114.8349 62.0706 72.7842 172.7907 52 G 3.6443 8.2482 112.5860 45.4482 0.0000 173.1508 53 R 3.9779 8.6867 119.3604 53.9234 32.4944 177.5148 54 W 4.2557 7.5139 120.7045 59.1116 28.2702 178.6286 55 R 3.6779 7.6915 117.0428 59.5940 28.7292 178.4804 56 D 4.6050 7.7367 118.9445 56.5795 40.7065 179.1112 57 V 3.6658 7.7323 119.1808 66.0112 31.1599 178.0735 58 K 4.0873 8.0825 118.8760 59.3072 31.7960 178.6942 59 F 4.5598 7.8164 117.5274 60.5064 39.0538 177.5255 60 R 3.9800 8.3989 117.2328 59.7062 29.9745 177.6213 61 A 4.2337 8.2481 119.3664 52.8544 17.9146 178.0335 62 F 4.4222 7.9373 115.6628 57.0953 42.5263 174.7313 63 E 4.7803 8.7201 130.4862 55.0779 29.5610 176.0027 64 N 5.0008 8.0145 116.5348 55.8962 45.7800 174.6783 65 V 3.6781 7.0125 110.3222 61.7155 32.3705 175.0420 66 H 4.5276 8.1812 115.8641 55.4877 28.0856 174.5450 67 H 4.2493 7.5942 114.6737 56.2533 28.3193 173.6176 68 R 4.3850 7.5040 115.6772 56.5296 32.6648 176.7642 69 T 4.0706 7.0857 111.5348 61.5278 74.1283 173.6552 70 Y 4.1390 7.3612 120.9909 61.8136 37.9575 179.6617 71 V 3.4901 7.5075 119.0378 64.8088 31.2974 177.5717 72 D 4.2930 7.8668 118.0969 57.1930 41.0647 178.2283 73 L 4.0145 7.8992 119.2816 57.6925 41.7153 179.1714 74 K 4.0192 8.0271 119.5228 59.8789 32.1439 178.2359 75 D 4.4332 8.7807 118.4877 57.0870 41.1164 177.9572 76 K 3.9826 8.1744 120.3085 59.2485 32.1148 178.6058 77 W 4.1109 8.4161 128.5162 60.3898 30.7292 177.5934 78 K 3.1376 8.3324 119.6457 59.7779 31.5237 178.7058 79 T 3.8098 8.0289 115.8467 66.6216 68.4842 176.6557 80 L 4.0565 7.9073 121.6387 58.7877 40.2635 179.6286 81 V 3.3116 7.5672 119.3885 66.0275 31.3456 177.4635 82 H 4.1782 7.9366 117.9690 59.7211 29.4565 177.3799 83 T 3.8391 7.8063 116.2968 65.9986 68.3892 175.9503 84 A 4.2951 7.8060 120.7673 53.0514 18.8985 178.3867 85 S 4.5293 7.4491 111.6503 58.9226 64.5604 174.4470 86 I 3.8097 7.5518 114.7589 60.0624 37.8995 175.4612 87 A 4.1513 8.3850 121.6796 51.7809 18.3639 176.7050 88 P 4.1816 0.0000 0.0000 66.0771 31.3834 178.9807 89 Q 4.1888 7.9799 115.9340 58.5926 28.5319 177.6982 90 Q 4.2520 7.2269 118.2833 56.7439 30.4510 177.4207 91 R 4.2892 7.4536 120.9500 54.9766 28.0400 176.4798 92 R 4.5324 7.6283 121.3558 54.3046 29.4545 175.7265 93 G 3.9147 7.4804 107.7765 44.4628 0.0000 171.5401 94 A 4.0556 8.2434 121.9284 51.5845 18.7353 177.2162 95 P 4.6707 0.0000 0.0000 62.4757 28.9180 175.9499 96 V 4.6147 7.4469 117.9690 59.1532 35.4686 174.0334 97 P 4.5490 0.0000 0.0000 62.5227 32.0723 177.5643 98 Q 4.0337 8.6624 118.6623 58.7071 28.4713 178.6328 99 E 3.9588 8.3125 118.6665 59.7568 29.2932 179.0857 100 L 4.0109 7.6796 119.9894 57.6078 41.7188 179.6026 101 L 4.1227 7.7799 118.0254 57.3551 41.6427 178.7633 102 D 4.3955 8.3394 118.9738 56.9507 41.1755 178.4653 103 R 4.0352 8.5295 117.2978 59.3880 29.6684 179.3175 104 V 4.0862 7.9222 113.2913 64.0078 31.5598 178.6803 105 L 3.9490 8.1020 118.5210 57.7213 41.5259 179.1290 106 A 3.7509 8.1312 120.4588 55.2271 18.2760 179.5069 107 A 3.9240 8.1891 119.0908 55.3003 18.5095 179.3793 108 Q 4.3648 8.4674 117.9191 59.7542 28.6549 178.8195 109 A 4.0177 8.0629 121.5337 55.1937 18.1834 179.0208 110 Y 4.1990 7.7494 114.7892 61.0817 37.9795 178.6387 111 W 4.9680 7.9566 117.6832 59.2404 29.5094 177.4965 112 S 4.1938 8.1656 113.2357 60.4225 61.5965 173.8695 113 V 4.2703 7.9517 120.2242 63.1719 33.9509 175.5490 114 D 4.7289 6.9434 117.7541 53.4245 44.0684 176.9054 115 S 4.2116 7.0912 112.7448 58.0381 65.4780 174.6056 116 S 4.6118 9.1899 114.8478 55.5155 65.2549 171.8492 117 G 4.2245 9.8511 119.4089 44.8680 0.0000 172.9187 118 R 3.8522 8.9085 119.2657 57.6299 28.4185 175.5856 119 I 4.3847 7.7969 109.6097 61.4926 39.9693 176.3276 120 V 4.0766 7.5739 112.7596 61.1267 32.4447 176.5898 121 T 4.6357 7.8987 118.7074 61.3776 69.4588 174.0678 122 L 4.1563 8.1019 123.9201 55.0053 41.5906 177.3922 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 8.34 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 0.00 0.00 0.00 2 S 7.37 4.53 0.00 3.87 3.66 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 3 P 0.00 4.42 0.00 2.27 2.04 0.00 3.54 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.91 0.00 4 F 7.98 4.78 0.00 3.05 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 5 A 8.81 3.77 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 6 D 7.55 5.09 0.00 2.74 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 7 P 0.00 4.20 0.00 2.20 2.22 0.00 3.91 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 1.98 1.95 0.00 8 N 8.13 4.11 0.00 2.84 2.89 0.00 0.00 6.98 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.85 4.18 0.00 3.89 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 10 L 8.16 4.37 0.00 1.63 1.62 0.92 0.81 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 11 A 8.40 3.85 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 12 L 7.94 3.32 0.00 1.78 1.71 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.20 4.76 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 14 N 8.34 5.01 0.00 2.61 2.64 0.00 0.00 6.75 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 15 V 8.07 4.49 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 0.90 0.00 0.00 0.93 0.00 0.00 16 P 0.00 4.50 0.00 2.17 2.05 0.00 3.80 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 17 L 7.87 4.29 0.00 1.55 1.51 0.92 0.86 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 18 S 8.34 4.78 0.00 3.85 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 19 R 7.95 4.74 0.00 1.78 1.75 0.00 3.36 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 20 S 8.28 4.74 0.00 3.78 3.69 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 0.00 0.00 0.00 0.00 21 K 8.15 4.54 0.00 1.79 1.74 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.35 7.81 22 R 7.93 4.54 0.00 1.70 1.71 0.00 3.24 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 23 P 0.00 4.44 0.00 1.85 1.99 0.00 3.70 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.94 0.00 24 D 7.67 4.35 0.00 2.41 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 F 7.86 5.19 0.00 3.06 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.37 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 27 Q 8.46 4.44 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 28 R 8.32 4.36 0.00 1.81 1.90 0.00 3.27 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 29 R 8.19 4.04 0.00 1.95 1.97 0.00 3.08 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 30 I 8.04 3.93 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.80 0.88 0.00 0.00 31 R 8.26 4.39 0.00 1.79 1.85 0.00 3.21 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 32 R 7.91 4.62 0.00 1.74 1.77 0.00 3.19 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 33 P 0.00 3.90 0.00 2.06 1.89 0.00 3.63 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.87 0.00 34 F 7.25 5.05 0.00 3.05 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 35 T 8.20 4.68 4.30 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 1.28 0.00 0.00 36 V 8.50 3.72 2.13 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 0.87 0.00 0.00 0.96 0.00 0.00 37 A 7.92 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.19 3.97 0.00 2.20 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 0.00 2.43 2.36 0.00 39 V 8.35 3.46 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 0.60 0.00 0.00 0.29 0.00 0.00 40 E 8.17 3.95 0.00 2.35 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 2.36 2.58 0.00 41 L 8.11 4.05 0.00 1.86 1.87 1.23 0.57 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 42 L 8.17 3.99 0.00 1.83 1.98 1.03 0.82 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 43 V 8.37 3.65 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.06 0.00 0.00 44 E 8.41 4.12 0.00 2.30 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 2.33 2.36 0.00 45 A 7.77 3.93 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 46 V 7.52 3.59 1.91 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 0.47 0.00 0.00 0.20 0.00 0.00 47 E 8.49 3.87 0.00 2.09 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 2.55 2.68 0.00 48 H 8.33 3.77 0.00 3.23 3.27 0.00 5.78 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.42 4.09 0.00 1.45 1.46 1.03 0.89 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 50 G 7.73 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 0.00 0.00 0.00 51 T 6.75 4.63 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 1.26 0.00 0.00 52 G 8.25 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 53 R 8.69 3.98 0.00 1.67 1.46 0.00 2.99 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.38 0.00 54 W 7.51 4.26 0.00 3.60 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 55 R 7.69 3.68 0.00 2.04 1.92 0.00 2.84 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.74 0.00 56 D 7.74 4.60 0.00 3.06 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 57 V 7.73 3.67 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.06 0.00 0.00 58 K 8.08 4.09 0.00 1.84 1.69 0.00 0.76 0.00 0.00 1.27 0.00 0.00 2.13 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.24 1.15 7.81 59 F 7.82 4.56 0.00 3.20 2.99 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 60 R 8.40 3.98 0.00 1.72 2.04 0.00 3.16 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 61 A 8.25 4.23 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 62 F 7.94 4.42 0.00 3.15 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 63 E 8.72 4.78 0.00 2.34 2.34 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 2.38 2.33 0.00 64 N 8.01 5.00 0.00 2.79 2.96 0.00 0.00 7.32 7.73 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 65 V 7.01 3.68 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 0.17 0.00 0.00 1.02 0.00 0.00 66 H 8.18 4.53 0.00 3.07 3.25 0.00 5.92 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 H 7.59 4.25 0.00 3.15 3.39 0.00 5.68 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.50 4.39 0.00 1.77 1.96 0.00 3.40 0.00 0.00 3.22 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 69 T 7.09 4.07 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 0.96 0.00 0.00 70 Y 7.36 4.14 0.00 2.64 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.51 3.49 1.57 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 0.77 0.00 0.00 0.77 0.00 0.00 72 D 7.87 4.29 0.00 2.72 2.69 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 0.00 0.00 0.00 0.00 73 L 7.90 4.01 0.00 1.82 1.76 0.97 0.75 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 74 K 8.03 4.02 0.00 2.02 1.95 0.00 1.94 0.00 0.00 1.91 0.00 0.00 2.99 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.66 1.60 7.81 75 D 8.78 4.43 0.00 2.91 2.69 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 0.00 0.00 0.00 0.00 76 K 8.17 3.98 0.00 2.23 2.09 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.64 7.81 77 W 8.42 4.11 0.00 3.49 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.33 3.14 0.00 2.10 2.04 0.00 1.34 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.49 7.81 79 T 8.03 3.81 4.28 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 1.24 0.00 0.00 80 L 7.91 4.06 0.00 1.98 2.14 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 81 V 7.57 3.31 1.59 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 0.66 0.00 0.00 -0.49 0.00 0.00 82 H 7.94 4.18 0.00 3.22 3.38 0.00 5.83 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 83 T 7.81 3.84 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 1.21 0.00 0.00 84 A 7.81 4.30 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 85 S 7.45 4.53 0.00 4.03 4.12 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 86 I 7.55 3.81 1.84 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 1.33 0.54 0.80 0.00 0.00 87 A 8.38 4.15 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 88 P 0.00 4.18 0.00 2.25 2.30 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 89 Q 7.98 4.19 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.97 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 90 Q 7.23 4.25 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 7.39 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 91 R 7.45 4.29 0.00 1.99 2.00 0.00 3.21 0.00 0.00 3.28 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 92 R 7.63 4.53 0.00 1.90 1.89 0.00 3.05 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.55 0.00 93 G 7.48 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 94 A 8.24 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.67 0.00 2.21 2.11 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 96 V 7.45 4.61 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 0.98 0.00 0.00 1.18 0.00 0.00 97 P 0.00 4.55 0.00 2.42 2.20 0.00 3.75 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 2.07 0.00 98 Q 8.66 4.03 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.87 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 99 E 8.31 3.96 0.00 2.21 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 0.00 2.39 2.45 0.00 100 L 7.68 4.01 0.00 1.74 1.74 0.88 0.61 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 0.00 101 L 7.78 4.12 0.00 1.81 1.72 0.94 1.07 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 0.00 102 D 8.34 4.40 0.00 2.92 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 8.53 4.04 0.00 2.13 2.23 0.00 2.87 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.78 0.00 104 V 7.92 4.09 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 1.08 0.00 0.00 0.99 0.00 0.00 105 L 8.10 3.95 0.00 1.80 1.69 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.13 3.75 1.48 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 0.00 0.00 0.00 107 A 8.19 3.92 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.47 4.36 0.00 2.68 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.87 0.00 0.00 0.00 0.00 0.00 2.75 2.55 0.00 109 A 8.06 4.02 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 0.00 110 Y 7.75 4.20 0.00 2.55 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 0.00 0.00 0.00 111 W 7.96 4.97 0.00 3.37 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 0.00 112 S 8.17 4.19 0.00 4.16 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 0.00 113 V 7.95 4.27 2.10 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 0.81 0.00 0.00 0.96 0.00 0.00 114 D 6.94 4.73 0.00 2.62 2.50 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 0.00 115 S 7.09 4.21 0.00 3.86 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 0.00 116 S 9.19 4.61 0.00 3.62 3.42 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 0.00 117 G 9.85 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 0.00 0.00 0.00 0.00 118 R 8.91 3.85 0.00 1.93 1.99 0.00 3.17 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 119 I 7.80 4.38 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.85 0.95 0.00 0.00 120 V 7.57 4.08 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 0.68 0.00 0.00 0.93 0.00 0.00 121 T 7.90 4.64 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 122 L 8.10 4.16 0.00 1.63 1.60 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00