NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.7379 8.4449 116.3060 55.3392 28.7304 172.0985 3 L 4.2776 8.0397 125.3821 51.9055 43.0462 176.4122 4 T 4.0787 9.1983 114.9831 61.0211 71.8248 173.8040 5 P 4.1546 0.0000 0.0000 65.9489 31.6799 178.5273 6 E 4.1008 8.1303 115.2641 58.8435 29.7378 178.6786 7 E 3.9692 7.7455 119.4615 59.0577 29.5189 178.9022 8 K 3.8168 8.3679 119.2890 59.4336 32.1738 179.0611 9 S 4.2747 7.9060 112.7755 60.1535 63.3207 176.3649 10 A 4.0050 7.8396 124.8513 54.9270 18.1099 179.6336 11 V 3.2362 7.6340 116.7515 66.4095 31.7129 178.2993 12 T 3.9304 8.0470 115.2325 66.6569 68.1055 176.4282 13 A 4.0365 7.8913 121.1555 55.1646 18.7314 179.1552 14 L 3.9300 8.1268 118.9062 58.0477 42.2061 178.9859 15 W 4.2786 8.8082 128.5081 60.2715 30.4174 177.9608 16 G 4.0317 8.0097 104.6350 46.9296 0.0000 174.0484 17 K 4.4029 7.6467 117.7518 55.9871 32.7509 176.3020 18 V 3.7539 7.5780 120.9909 61.7597 31.8843 175.5295 19 N 4.3980 8.4596 125.8860 53.1067 39.3527 175.4214 20 V 3.4784 8.1796 128.5980 65.8942 31.7910 177.3555 21 D 4.3279 8.0641 118.2148 57.3544 40.7174 178.2822 22 E 3.8026 8.5772 119.7071 59.3173 29.6960 178.9071 23 V 3.5256 7.7560 118.3863 65.7682 31.4478 177.9765 24 G 3.7501 8.2661 105.6552 47.9399 0.0000 175.5318 25 G 3.7453 8.0056 108.9272 47.4641 0.0000 175.2255 26 E 3.8782 8.2609 121.4784 58.8741 29.6305 178.8166 27 A 3.9505 8.5937 121.2236 54.9811 18.4889 179.3492 28 L 3.9486 8.2871 119.4256 58.0613 42.1022 179.5120 29 G 3.5033 7.9241 105.3783 47.9094 0.0000 175.8649 30 R 3.8489 7.9492 121.0108 58.6121 29.9446 178.6550 31 L 4.0053 8.0148 120.1898 58.5246 42.1800 179.1486 32 L 4.0524 7.5550 118.9514 56.1626 41.3314 179.5390 33 V 3.5693 7.2646 117.8591 65.7493 31.7842 177.9856 34 V 3.5111 8.0436 116.9593 64.4116 32.7289 175.6029 35 Y 3.7838 7.4919 116.1499 54.1498 38.1140 174.0347 36 P 4.7659 0.0000 0.0000 64.3268 31.8608 178.4872 37 W 4.3663 8.2757 116.8230 59.5297 27.5270 177.9061 38 T 4.2067 7.7769 110.7119 64.2721 68.0091 175.9966 39 Q 4.3512 8.0798 121.4048 58.1946 28.4402 178.4322 40 R 3.7595 7.7383 116.7652 58.5294 29.3331 177.8388 41 F 4.4383 7.2856 116.0450 57.3770 39.6770 175.5306 42 F 4.5311 8.0215 118.8216 56.3996 39.8741 176.9976 43 E 3.9958 8.5901 122.3184 59.5107 29.4320 178.5265 44 S 4.6743 8.0959 110.0824 58.5179 63.3961 174.4742 45 F 4.5430 8.4020 119.3674 58.2244 39.6785 176.8381 46 G 3.8995 8.1163 106.6396 44.2637 0.0000 172.4801 47 D 4.5246 8.5087 121.9718 54.4639 41.5611 176.6779 48 L 4.9158 8.3324 126.1163 54.5755 43.2912 177.7548 49 S 4.3739 8.1745 116.3703 60.3719 63.6162 174.5539 50 T 4.7239 7.4283 110.3266 58.1791 72.9671 172.4911 51 P 4.1891 0.0000 0.0000 66.3318 31.3847 178.7062 52 D 4.3377 8.0753 116.5229 57.0923 40.8509 178.6334 53 A 3.9642 8.0956 121.4529 54.9890 18.1973 179.7205 54 V 3.5234 7.8535 115.9156 66.6557 31.7150 177.9267 55 M 4.2824 8.2253 117.3868 57.9850 31.9190 178.2776 56 G 3.9448 7.9035 103.1045 43.9941 0.0000 173.1867 57 N 4.3007 7.6713 120.8955 53.1681 39.3441 173.6382 58 P 4.2383 0.0000 0.0000 65.9855 31.2793 178.6429 59 K 3.6987 7.9618 117.8028 58.8068 31.9085 179.3234 60 V 3.7499 8.2908 118.8408 66.0468 31.4881 178.2496 61 K 3.9642 8.1991 118.0123 59.3059 31.9055 179.2419 62 A 3.9646 8.1472 121.1127 55.5479 18.2820 179.2665 63 H 4.4086 8.5776 117.0707 59.2082 29.9807 177.4893 64 G 3.7030 8.6533 108.1068 47.9248 0.0000 175.6341 65 K 4.0148 8.2311 120.8484 59.0967 32.0484 179.6584 66 K 4.0144 7.8721 118.1548 59.4068 31.9732 179.3452 67 V 3.5933 7.9501 118.7974 66.3062 31.4169 177.9428 68 L 4.2635 8.1962 119.7301 57.6450 41.8884 179.0892 69 G 3.7397 8.3910 106.0001 47.7995 0.0000 175.5575 70 A 4.1328 8.1729 123.5536 54.7298 18.2002 179.2710 71 F 4.1258 8.4639 118.4299 61.6021 39.7123 176.9697 72 S 4.2036 8.7450 112.8934 61.6975 62.3160 175.5854 73 D 4.4872 8.3624 121.6327 57.6970 40.5505 179.4057 74 G 3.5335 7.9657 105.7160 47.5735 0.0000 175.4091 75 L 3.7993 7.3043 119.4757 56.3907 41.5804 178.1584 76 A 4.2974 7.4157 119.3924 52.3324 19.5514 176.8050 77 H 4.8872 8.1330 115.6906 54.8510 29.8755 175.5392 78 L 3.9244 7.8972 119.8760 57.5666 41.9245 178.6634 79 D 4.5390 7.9075 116.4030 55.5992 41.9606 176.0213 80 N 4.9995 8.1017 117.7050 51.1328 39.1642 174.6653 81 L 4.1204 7.7776 122.0260 57.5645 42.1542 179.3056 82 K 4.0470 8.0556 118.2710 59.4916 31.9210 179.2254 83 G 3.7653 8.2082 104.2086 48.3545 0.0000 175.1542 84 T 3.8005 7.7506 116.9546 65.4943 68.6232 175.8256 85 F 4.7382 7.8390 116.9432 57.0575 39.2125 177.3792 86 A 4.0751 7.6014 122.2474 55.5149 18.1998 180.4913 87 T 3.8291 7.8244 107.6776 65.1503 68.9745 176.6903 88 L 4.1213 7.9956 121.7362 57.0580 41.6590 179.2636 89 S 4.4291 8.7011 114.9856 61.0620 62.4342 175.9804 90 E 3.9259 8.4706 121.4580 59.3126 29.1970 179.2322 91 L 3.8835 8.0465 120.1579 58.6593 42.2062 178.8949 92 H 4.2196 8.6720 116.4190 58.6128 28.2910 177.3954 93 C 3.2889 7.7390 120.6727 62.2464 31.1740 175.3204 94 D 4.1537 8.2722 119.5386 56.3442 40.6221 177.6863 95 K 4.2117 7.7103 116.8686 57.7457 33.1224 177.4229 96 L 4.2727 7.7646 116.3021 54.4741 42.5579 176.0301 97 H 3.9899 7.0320 114.6370 56.6021 26.6385 175.4825 98 V 3.6982 7.8237 118.4045 60.8185 32.2245 174.7540 99 D 4.3280 8.7936 127.3387 54.1747 41.4524 175.3003 100 P 2.9700 0.0000 0.0000 64.2486 31.1820 177.8149 101 E 3.8495 8.1096 118.7398 59.3437 29.2467 178.5124 102 N 4.3349 7.9083 116.4294 56.0384 38.4151 177.2696 103 F 4.4569 7.2910 119.4664 60.4589 38.9165 177.9115 104 R 3.9253 7.8991 117.2427 59.3047 30.0572 178.7483 105 L 3.8137 7.7401 118.7148 57.8178 41.4874 179.4598 106 L 4.1045 8.3585 120.5669 57.9460 41.9908 179.0880 107 G 3.7077 8.3215 105.8965 48.1316 0.0000 175.4012 108 N 4.5067 8.3054 118.9592 55.6483 38.5628 177.7221 109 V 3.5924 7.9874 119.8445 65.8898 31.5280 177.7567 110 L 3.8361 8.1632 120.2712 58.1754 41.9358 178.8676 111 V 3.5274 7.7903 118.0791 66.5535 31.3229 177.8347 112 C 4.1548 8.0573 116.1029 62.5771 27.8267 176.3570 113 V 3.4979 7.7759 120.0452 65.9399 31.0660 178.0626 114 L 3.8837 7.8439 118.6944 57.5395 41.3133 179.4608 115 A 3.7525 7.2081 120.4900 55.3047 18.1735 179.0056 116 H 4.0680 8.0539 115.5970 59.7646 29.9746 176.6568 117 H 3.9323 8.4508 118.8217 58.9305 29.8431 176.6144 118 F 4.4523 8.2276 116.9352 56.4313 39.8464 177.9737 119 G 3.8177 8.8038 108.6820 46.2520 0.0000 177.5823 120 K 4.2592 8.8758 122.5873 59.2094 32.5392 177.8084 121 E 4.0316 8.3340 119.5368 58.7025 30.0574 176.9781 122 F 4.6275 8.3076 123.5155 57.1527 37.9487 175.0430 123 T 4.2003 7.3029 115.5754 60.3534 71.4102 173.6773 124 P 4.1444 0.0000 0.0000 65.2913 31.3305 177.0654 125 P 4.1911 0.0000 0.0000 65.6050 31.2741 178.6791 126 V 3.5361 7.4583 116.4523 65.9219 31.4091 177.6600 127 Q 3.4937 7.9759 119.2822 59.1096 28.8409 178.0807 128 A 4.0117 8.0283 121.4050 55.2689 18.4162 179.5376 129 A 3.8591 7.9456 118.9232 55.6175 18.5122 179.4102 130 Y 3.9855 8.1782 115.2626 61.3378 37.9405 178.8437 131 Q 4.1632 8.8598 119.3038 59.2585 28.8866 179.4140 132 K 4.0441 7.9848 118.8367 59.1432 31.9589 179.7727 133 V 3.5016 7.5479 118.2120 66.2029 31.5582 178.6695 134 V 3.9720 8.5090 112.1457 64.0244 31.2956 178.5314 135 A 4.1497 8.2001 121.2604 54.8021 18.2242 179.8492 136 G 3.4910 8.1421 104.2978 47.8721 0.0000 175.9026 137 V 3.2660 8.0754 121.3520 65.5384 31.4171 177.9147 138 A 3.9377 7.9187 120.2449 55.2156 18.0285 179.1828 139 N 4.2425 8.3115 113.9438 56.6008 39.0846 177.1847 140 A 4.1770 8.4111 122.3760 55.2103 18.5182 179.7348 141 L 3.9389 8.2297 117.5954 57.4434 41.5463 179.0697 142 A 4.1535 8.3742 120.2831 54.1317 18.1818 178.9129 143 H 4.3082 8.0361 116.3965 58.5012 29.9678 175.8587 144 K 4.4853 8.0584 117.7527 56.1975 32.1432 176.3392 145 Y 4.2703 7.9386 117.2373 58.6635 38.3882 175.8498 146 H 4.4256 8.3897 116.9461 56.3013 28.1184 173.4593 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 2 H 8.44 4.74 0.00 3.24 3.42 0.00 5.48 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 8.04 4.28 0.00 1.66 1.57 0.84 0.52 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 4 T 9.20 4.08 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 1.22 0.00 0.00 5 P 0.00 4.15 0.00 2.16 2.14 0.00 3.57 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 2.10 2.17 0.00 6 E 8.13 4.10 0.00 2.14 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 2.34 2.32 0.00 7 E 7.75 3.97 0.00 2.18 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 2.29 2.31 0.00 8 K 8.37 3.82 0.00 1.93 1.81 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.38 1.39 7.81 9 S 7.91 4.27 0.00 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 0.00 10 A 7.84 4.01 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 11 V 7.63 3.24 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 0.67 0.00 0.00 0.39 0.00 0.00 12 T 8.05 3.93 4.32 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 1.25 0.00 0.00 13 A 7.89 4.04 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 14 L 8.13 3.93 0.00 1.96 2.04 0.23 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.81 4.28 0.00 3.84 3.21 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 16 G 8.01 4.03 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 0.00 0.00 0.00 17 K 7.65 4.40 0.00 1.83 2.00 0.00 1.43 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.47 7.81 18 V 7.58 3.75 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 0.00 0.00 -0.06 0.00 0.00 0.69 0.00 0.00 19 N 8.46 4.40 0.00 2.71 2.57 0.00 0.00 6.83 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 8.18 3.48 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 1.24 0.00 0.00 0.97 0.00 0.00 21 D 8.06 4.33 0.00 2.88 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 8.58 3.80 0.00 1.94 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 2.16 2.21 0.00 23 V 7.76 3.53 1.99 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 0.85 0.00 0.00 0.71 0.00 0.00 24 G 8.27 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 25 G 8.01 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 26 E 8.26 3.88 0.00 2.07 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 2.22 2.30 0.00 27 A 8.59 3.95 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 28 L 8.29 3.95 0.00 1.71 1.62 0.80 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.92 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 30 R 7.95 3.85 0.00 1.90 1.92 0.00 3.09 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 31 L 8.01 4.01 0.00 1.87 1.90 1.03 0.61 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 32 L 7.55 4.05 0.00 1.93 1.64 0.84 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.26 3.57 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 0.71 0.00 0.00 0.92 0.00 0.00 34 V 8.04 3.51 1.53 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 -0.05 0.00 0.00 0.72 0.00 0.00 35 Y 7.49 3.78 0.00 2.52 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.77 0.00 2.32 2.29 0.00 3.68 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 2.23 1.90 0.00 37 W 8.28 4.37 0.00 3.53 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.78 4.21 4.46 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 1.15 0.00 0.00 39 Q 8.08 4.35 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 40 R 7.74 3.76 0.00 1.63 1.93 0.00 2.95 0.00 0.00 2.54 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.50 0.00 41 F 7.29 4.44 0.00 2.08 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 0.00 0.00 0.00 0.00 42 F 8.02 4.53 0.00 2.87 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 0.00 0.00 0.00 43 E 8.59 4.00 0.00 1.96 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 0.00 2.35 2.22 0.00 44 S 8.10 4.67 0.00 4.10 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.40 4.54 0.00 3.29 3.23 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 0.00 46 G 8.12 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.51 4.52 0.00 2.67 2.61 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 48 L 8.33 4.92 0.00 1.65 1.61 1.05 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.17 4.37 0.00 3.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.43 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 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 52 D 8.08 4.34 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 8.10 3.96 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 54 V 7.85 3.52 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 0.85 0.00 0.00 0.95 0.00 0.00 55 M 8.23 4.28 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.88 0.00 56 G 7.90 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 57 N 7.67 4.30 0.00 2.98 2.90 0.00 0.00 6.84 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.24 0.00 2.24 2.26 0.00 3.72 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 59 K 7.96 3.70 0.00 1.50 0.74 0.00 1.53 0.00 0.00 1.38 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.18 1.27 7.81 60 V 8.29 3.75 2.23 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 0.95 0.00 0.00 1.06 0.00 0.00 61 K 8.20 3.96 0.00 1.96 1.82 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.43 7.81 62 A 8.15 3.96 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 63 H 8.58 4.41 0.00 3.66 3.59 0.00 5.80 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 8.65 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 65 K 8.23 4.01 0.00 1.94 2.05 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.65 1.72 7.81 66 K 7.87 4.01 0.00 2.05 1.90 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.52 7.81 67 V 7.95 3.59 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 1.11 0.00 0.00 0.90 0.00 0.00 68 L 8.20 4.26 0.00 2.06 1.82 1.20 0.93 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 69 G 8.39 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 70 A 8.17 4.13 1.58 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 0.00 0.00 71 F 8.46 4.13 0.00 3.04 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 72 S 8.75 4.20 0.00 4.61 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.36 4.49 0.00 2.90 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 74 G 7.97 3.53 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 0.00 0.00 0.00 75 L 7.30 3.80 0.00 1.42 1.38 -0.55 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.42 4.30 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 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.13 4.89 0.00 2.99 3.10 0.00 5.63 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 78 L 7.90 3.92 0.00 1.54 1.64 0.78 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.91 4.54 0.00 2.64 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 80 N 8.10 5.00 0.00 2.69 2.58 0.00 0.00 7.05 6.35 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 81 L 7.78 4.12 0.00 1.75 1.83 0.87 0.84 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 82 K 8.06 4.05 0.00 1.74 1.79 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.56 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.45 7.81 83 G 8.21 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.75 3.80 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 0.62 0.00 0.00 85 F 7.84 4.74 0.00 3.24 2.93 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 86 A 7.60 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 87 T 7.82 3.83 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 1.21 0.00 0.00 88 L 8.00 4.12 0.00 1.89 1.93 1.12 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.70 4.43 0.00 4.15 4.17 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 90 E 8.47 3.93 0.00 2.21 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 2.33 2.34 0.00 91 L 8.05 3.88 0.00 1.85 1.97 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.67 4.22 0.00 3.70 3.76 0.00 5.86 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.74 3.29 0.00 1.23 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 0.00 0.00 0.00 0.00 94 D 8.27 4.15 0.00 2.64 2.67 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 95 K 7.71 4.21 0.00 1.80 1.81 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.36 7.81 96 L 7.76 4.27 0.00 1.71 1.65 0.73 0.93 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 7.03 3.99 0.00 3.44 3.41 0.00 5.64 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.82 3.70 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 0.02 0.00 0.00 0.46 0.00 0.00 99 D 8.79 4.33 0.00 2.83 2.61 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 0.00 100 P 0.00 2.97 0.00 1.79 1.67 0.00 3.31 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.44 0.00 101 E 8.11 3.85 0.00 2.01 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 2.30 2.37 0.00 102 N 7.91 4.33 0.00 2.47 2.76 0.00 0.00 6.88 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 0.00 103 F 7.29 4.46 0.00 3.08 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 0.00 104 R 7.90 3.93 0.00 2.00 1.96 0.00 3.09 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 105 L 7.74 3.81 0.00 1.51 1.23 0.66 0.07 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 8.36 4.10 0.00 1.79 1.87 0.91 1.31 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 0.00 107 G 8.32 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 0.00 108 N 8.31 4.51 0.00 2.94 2.96 0.00 0.00 6.69 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.99 3.59 2.24 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 1.05 0.00 0.00 1.16 0.00 0.00 110 L 8.16 3.84 0.00 1.64 1.75 0.88 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.79 3.53 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 1.18 0.00 0.00 112 C 8.06 4.15 0.00 3.15 2.93 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 0.00 113 V 7.78 3.50 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 0.92 0.00 0.00 0.94 0.00 0.00 114 L 7.84 3.88 0.00 0.88 1.10 0.52 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.21 3.75 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 0.00 116 H 8.05 4.07 0.00 3.14 3.41 0.00 5.78 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 0.00 117 H 8.45 3.93 0.00 2.85 2.81 0.00 5.99 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 8.23 4.45 0.00 3.25 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 0.00 119 G 8.80 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 0.00 120 K 8.88 4.26 0.00 1.92 2.00 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.47 7.81 121 E 8.33 4.03 0.00 2.07 2.20 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 2.34 2.36 0.00 122 F 8.31 4.63 0.00 3.02 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 0.00 123 T 7.30 4.20 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 1.27 0.00 0.00 124 P 0.00 4.14 0.00 2.15 2.13 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 125 P 0.00 4.19 0.00 2.11 2.07 0.00 3.55 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 126 V 7.46 3.54 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 1.10 0.00 0.00 0.92 0.00 0.00 127 Q 7.98 3.49 0.00 1.56 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.52 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 128 A 8.03 4.01 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 7.95 3.86 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Y 8.18 3.99 0.00 3.42 3.33 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 0.00 131 Q 8.86 4.16 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.76 2.63 0.00 132 K 7.98 4.04 0.00 1.98 1.82 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.57 7.81 133 V 7.55 3.50 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 0.91 0.00 0.00 0.70 0.00 0.00 134 V 8.51 3.97 2.20 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 0.96 0.00 0.00 1.14 0.00 0.00 135 A 8.20 4.15 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 0.00 136 G 8.14 3.49 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 0.00 0.00 0.00 0.00 137 V 8.08 3.27 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 0.47 0.00 0.00 0.62 0.00 0.00 138 A 7.92 3.94 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 0.00 139 N 8.31 4.24 0.00 2.86 2.91 0.00 0.00 7.06 6.93 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 0.00 140 A 8.41 4.18 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.23 3.94 0.00 1.19 0.78 -0.11 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.37 4.15 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 0.00 143 H 8.04 4.31 0.00 3.40 3.52 0.00 5.74 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 0.00 144 K 8.06 4.49 0.00 1.87 1.85 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.60 7.81 145 Y 7.94 4.27 0.00 3.02 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 0.00 146 H 8.39 4.43 0.00 3.22 3.23 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