NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.2958 8.3344 116.7937 57.7101 63.5433 170.4581 4 N 3.7933 8.0541 120.2994 52.4869 38.7742 173.6131 5 A 4.2528 8.6576 129.3206 53.8107 19.5099 176.9351 6 S 4.7074 7.6994 108.5344 57.9142 64.5069 174.6089 7 A 2.9291 7.0984 123.8067 50.9088 18.5938 176.8558 8 L 3.3499 7.3246 121.9443 56.9585 42.5909 177.8252 9 G 3.9508 7.6902 108.1814 45.7762 0.0000 173.5052 10 R 4.0315 8.3987 118.8819 58.4748 30.8723 176.1421 11 N 4.7501 7.5349 113.0092 51.1058 39.4376 174.0364 12 G 3.5740 8.7631 103.4401 48.6388 0.0000 175.5630 13 V 3.7823 7.9128 120.9910 65.7696 31.3135 177.6821 14 H 4.2234 8.8464 118.0721 59.2791 29.7815 177.0490 15 D 4.2206 7.9246 120.2605 57.1731 40.7947 178.3385 16 F 4.1541 8.6847 121.5263 61.5264 39.4177 177.2775 17 I 3.6403 7.9886 119.1013 64.4192 37.0880 178.3950 18 L 3.8933 8.1930 120.2253 57.7017 41.3867 179.6416 19 V 3.4701 7.6891 117.9890 66.1304 31.5728 178.0559 20 R 3.7971 7.6078 116.9201 59.3619 30.0003 178.9967 21 A 4.0055 8.0439 120.5091 55.3787 18.3825 179.8512 22 T 3.8950 7.9297 107.7046 64.6253 68.7154 176.4097 23 A 3.8855 8.0816 123.8917 55.0583 18.4338 179.1576 24 I 3.6360 7.6159 117.0916 64.7171 37.3500 178.5946 25 V 3.6983 7.7025 118.2859 66.3025 31.2311 178.1426 26 L 4.1447 8.5139 118.3767 57.4853 41.2259 179.7852 27 T 3.9902 8.2130 116.7234 66.4944 68.4947 176.4754 28 L 4.0803 7.9701 120.7955 58.3388 41.5965 178.8422 29 Y 3.1301 7.9060 119.0083 60.6452 38.4621 178.5545 30 I 3.6028 7.5178 120.1360 64.6319 37.2049 177.9021 31 I 3.6875 7.9311 120.5715 65.0357 36.8689 177.3174 32 Y 4.1210 8.6070 120.0255 61.6203 38.1688 178.7011 33 M 4.1740 8.2038 119.2882 57.9366 31.9708 179.0545 34 V 3.8103 8.5420 119.2416 65.8633 31.5629 178.0186 35 G 3.7529 8.5286 104.8159 48.4705 0.0000 174.5786 36 F 3.8502 7.8265 122.9911 60.9362 38.7068 176.7900 37 F 3.7833 8.4451 116.1485 60.6538 38.7991 177.1689 38 A 4.1287 8.0599 117.3952 53.1398 18.7717 177.2578 39 T 4.6031 7.8408 114.4626 62.8198 69.6004 174.6363 40 S 4.1609 7.6688 116.2796 59.8248 67.4830 174.9050 41 G 3.8080 7.0156 106.9709 45.7489 0.0000 173.3538 42 E 4.1160 8.2220 123.0318 54.5442 30.3208 176.2018 43 L 4.3839 8.2686 127.1079 53.9020 42.4286 176.3070 44 T 4.4356 8.2208 123.6216 62.7125 70.8380 175.1253 45 Y 4.3691 8.9025 125.3152 60.9795 38.4515 178.6670 46 E 3.9414 8.2166 119.0997 59.1955 29.5607 178.9901 47 V 3.8152 7.6649 117.0388 65.8502 32.0355 177.3165 48 W 4.8523 8.7924 128.8099 60.6062 30.7757 177.5894 49 I 3.6437 7.9568 118.5583 63.0393 36.9269 177.8560 50 G 3.8055 7.6459 104.8072 47.3105 0.0000 175.6430 51 F 4.0751 8.1042 122.1724 60.4909 39.4708 176.5541 52 F 3.6792 7.8287 114.5000 57.9483 39.2979 177.1667 53 A 4.1395 7.2286 119.0390 53.3979 18.6496 178.0340 54 S 3.9802 7.1011 112.7255 58.4071 63.2160 174.3786 55 A 3.9206 8.9957 129.8963 55.5355 18.1503 179.0237 56 F 3.6224 8.2830 118.2823 61.9709 39.3520 177.4197 57 T 3.7878 7.6716 114.5640 66.2739 68.1946 176.8649 58 K 3.7912 7.7811 120.4979 59.4598 32.1206 179.6200 59 V 3.4389 7.6638 118.4800 65.6204 31.2683 177.9710 60 F 4.3062 7.7709 120.0971 61.5205 39.3220 177.0316 61 T 3.4409 7.7083 116.7057 66.0542 68.3413 176.5293 62 L 3.7839 7.6986 120.2987 57.3906 41.5116 179.2880 63 L 4.0285 7.8487 119.9666 57.3963 41.9175 178.9679 64 A 3.7439 7.6593 121.2077 54.9963 18.4210 179.1953 65 L 3.9096 7.6506 117.3791 58.2082 41.7201 179.7700 66 F 4.2339 8.3621 120.1988 61.5154 39.2911 177.4097 67 S 4.0852 7.9437 114.3445 61.2867 62.4589 176.8722 68 I 3.7252 8.2712 123.1452 64.2006 36.8243 177.6033 69 L 4.0353 7.9313 121.1781 58.6577 41.3573 179.0861 70 I 3.5347 7.3143 118.6284 64.7866 37.0791 177.7392 71 H 4.0547 8.4090 118.7688 59.2690 29.6950 176.9931 72 A 4.0880 8.9921 122.8428 54.8276 18.2997 179.0765 73 W 4.2863 8.5772 127.1812 61.0524 30.4896 178.2774 74 I 3.9704 7.4754 117.5195 64.3198 36.8504 178.4770 75 G 3.7706 8.1740 106.5116 48.2991 0.0000 175.5424 76 M 4.1225 8.4043 122.1921 57.7126 31.9582 178.8488 77 W 4.2056 8.5971 128.4692 60.5005 30.6506 178.1131 78 Q 3.7680 8.1620 117.3971 58.8240 28.3037 178.7066 79 V 3.3347 7.5662 118.8355 65.7415 31.7877 177.6082 80 L 3.6945 7.8244 118.5676 58.5084 41.3157 179.9137 81 T 3.5280 7.1474 114.2818 65.9786 68.1659 175.8720 82 D 4.3801 8.0333 120.5872 56.7863 41.3905 177.7960 83 Y 4.7632 7.2900 114.6245 59.0568 39.7091 176.4969 84 V 4.0479 7.3673 120.6608 61.1482 30.1279 175.2969 85 K 4.0347 8.2275 123.2321 58.2140 32.8387 176.6138 86 P 4.2620 0.0000 0.0000 62.2484 31.9746 176.4008 87 L 3.9199 8.7438 125.0397 58.4271 41.5525 178.7388 88 A 3.9873 7.9751 119.8395 55.0539 18.4579 179.1891 89 L 3.8967 7.8321 118.3167 58.1661 42.2367 178.9489 90 R 3.8492 7.8453 118.2453 59.5589 29.9995 178.3327 91 L 4.0320 7.8523 118.7202 58.1701 41.5520 179.2758 92 M 3.9980 7.7940 117.4896 58.4415 32.0759 178.3687 93 L 3.9307 7.7416 118.8689 57.9654 41.8993 179.3172 94 Q 3.9506 8.4083 118.3758 58.9275 28.6370 178.8229 95 L 3.8172 8.1098 121.4327 58.0520 42.0762 179.2904 96 V 3.4595 7.8833 118.0975 66.0055 31.4539 177.8849 97 I 3.5568 7.9171 119.9251 64.4423 36.9108 178.6169 98 V 3.1013 7.9331 119.1015 65.8920 31.3098 178.2472 99 V 3.4367 7.6128 117.6862 65.5900 31.1803 177.9427 100 A 3.6933 7.7823 120.7036 55.0474 18.1388 179.5751 101 L 3.5472 7.6765 117.6535 57.6300 41.5952 179.9854 102 V 3.5827 7.8262 118.2485 66.1721 31.5588 178.0805 103 V 3.6488 7.7164 117.8874 66.2829 31.2153 177.3399 104 Y 4.5563 7.9628 116.4771 61.3656 37.8090 178.9796 105 V 3.7231 7.8209 118.5244 66.2122 31.7384 178.0928 106 I 3.9335 8.1304 119.5742 64.7626 36.9264 177.9125 107 Y 4.2909 8.8098 120.8703 60.2540 38.5356 178.1204 108 G 3.4645 8.1605 106.9650 47.7696 0.0000 175.5108 109 F 3.6514 8.1163 120.7816 59.9205 38.7106 177.8035 110 V 2.0000 6.7679 116.1173 65.4274 31.4276 177.9542 111 V 3.3778 7.2529 118.0206 65.6914 31.3110 178.1805 112 V 3.5794 7.3540 118.1155 65.7157 31.2894 177.9112 113 W 4.5367 7.8179 114.4588 58.4084 28.1475 177.3190 114 G 4.0666 7.4385 104.1248 45.2790 0.0000 173.7879 115 V 4.0335 7.7655 126.1184 62.8805 31.8270 174.9088 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 3 S 8.33 4.30 0.00 3.85 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 4 N 8.05 3.79 0.00 2.89 2.66 0.00 0.00 6.96 7.87 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 5 A 8.66 4.25 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 6 S 7.70 4.71 0.00 4.51 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 7 A 7.10 2.93 0.03 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 8 L 7.32 3.35 0.00 0.71 1.04 0.33 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 9 G 7.69 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.40 4.03 0.00 1.65 1.89 0.00 3.11 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.30 0.00 11 N 7.53 4.75 0.00 2.88 2.88 0.00 0.00 6.17 7.03 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 12 G 8.76 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 13 V 7.91 3.78 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 1.06 0.00 0.00 0.91 0.00 0.00 14 H 8.85 4.22 0.00 3.34 3.37 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 7.92 4.22 0.00 3.03 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.68 4.15 0.00 3.03 3.24 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 17 I 7.99 3.64 2.07 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.92 0.90 0.00 0.00 18 L 8.19 3.89 0.00 1.51 1.56 0.57 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.69 3.47 2.14 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 0.93 0.00 0.00 0.94 0.00 0.00 20 R 7.61 3.80 0.00 1.87 1.83 0.00 2.79 0.00 0.00 2.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.45 0.00 21 A 8.04 4.01 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 22 T 7.93 3.90 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 23 A 8.08 3.89 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 24 I 7.62 3.64 2.05 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.01 0.95 0.00 0.00 25 V 7.70 3.70 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 1.15 0.00 0.00 1.00 0.00 0.00 26 L 8.51 4.14 0.00 1.89 1.70 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.21 3.99 4.50 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 1.26 0.00 0.00 28 L 7.97 4.08 0.00 2.14 2.06 1.05 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 7.91 3.13 0.00 2.38 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 30 I 7.52 3.60 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.96 0.92 0.00 0.00 31 I 7.93 3.69 2.14 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 1.45 1.11 0.99 0.00 0.00 32 Y 8.61 4.12 0.00 3.29 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 33 M 8.20 4.17 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 34 V 8.54 3.81 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 1.10 0.00 0.00 1.00 0.00 0.00 35 G 8.53 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 36 F 7.83 3.85 0.00 2.41 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 37 F 8.45 3.78 0.00 3.36 3.02 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 38 A 8.06 4.13 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 39 T 7.84 4.60 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 1.09 0.00 0.00 40 S 7.67 4.16 0.00 3.51 3.43 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 41 G 7.02 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.22 4.12 0.00 1.94 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 2.26 2.26 0.00 43 L 8.27 4.38 0.00 1.48 1.49 1.06 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.22 4.44 4.31 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 1.31 0.00 0.00 45 Y 8.90 4.37 0.00 3.13 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 46 E 8.22 3.94 0.00 2.07 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 2.49 2.37 0.00 47 V 7.66 3.82 2.31 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 0.95 0.00 0.00 0.98 0.00 0.00 48 W 8.79 4.85 0.00 3.52 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.96 3.64 1.12 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.04 0.55 0.00 0.00 50 G 7.65 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.10 4.08 0.00 2.88 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 F 7.83 3.68 0.00 2.60 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 53 A 7.23 4.14 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 54 S 7.10 3.98 0.00 3.71 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 55 A 9.00 3.92 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 56 F 8.28 3.62 0.00 3.14 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 7.67 3.79 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 -0.16 0.00 0.00 58 K 7.78 3.79 0.00 1.82 1.74 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.37 1.57 7.81 59 V 7.66 3.44 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 0.75 0.00 0.00 0.86 0.00 0.00 60 F 7.77 4.31 0.00 2.94 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.71 3.44 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 1.20 0.00 0.00 62 L 7.70 3.78 0.00 1.38 1.23 -0.09 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.85 4.03 0.00 1.79 1.91 0.96 1.03 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 64 A 7.66 3.74 0.57 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 65 L 7.65 3.91 0.00 1.82 1.82 0.80 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.36 4.23 0.00 3.26 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 67 S 7.94 4.09 0.00 4.11 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 68 I 8.27 3.73 2.08 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.03 1.02 0.00 0.00 69 L 7.93 4.04 0.00 1.82 1.82 1.31 1.00 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 70 I 7.31 3.53 1.68 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.32 0.72 0.00 0.00 71 H 8.41 4.05 0.00 3.35 3.43 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 72 A 8.99 4.09 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 73 W 8.58 4.29 0.00 3.61 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 74 I 7.48 3.97 2.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.70 0.99 0.00 0.00 75 G 8.17 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 76 M 8.40 4.12 0.00 2.08 2.31 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.93 0.00 77 W 8.60 4.21 0.00 3.68 3.52 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 0.00 0.00 0.00 0.00 78 Q 8.16 3.77 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.75 0.00 0.00 0.00 0.00 0.00 2.56 2.86 0.00 79 V 7.57 3.33 2.14 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 1.01 0.00 0.00 0.89 0.00 0.00 80 L 7.82 3.69 0.00 1.58 1.63 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 81 T 7.15 3.53 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 0.70 0.00 0.00 82 D 8.03 4.38 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 7.29 4.76 0.00 2.90 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 84 V 7.37 4.05 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 0.78 0.00 0.00 0.95 0.00 0.00 85 K 8.23 4.03 0.00 1.79 1.86 0.00 1.81 0.00 0.00 1.68 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.42 7.81 86 P 0.00 4.26 0.00 2.15 2.00 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 87 L 8.74 3.92 0.00 1.76 1.69 0.95 1.24 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 88 A 7.98 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 89 L 7.83 3.90 0.00 1.77 1.81 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.85 3.85 0.00 2.08 1.91 0.00 3.02 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 91 L 7.85 4.03 0.00 1.76 1.73 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 92 M 7.79 4.00 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 93 L 7.74 3.93 0.00 1.93 1.68 0.95 0.81 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 94 Q 8.41 3.95 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 95 L 8.11 3.82 0.00 1.76 1.80 0.85 1.16 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 96 V 7.88 3.46 2.14 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 0.93 0.00 0.00 0.94 0.00 0.00 97 I 7.92 3.56 1.97 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 1.37 0.49 0.81 0.00 0.00 98 V 7.93 3.10 1.72 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 0.40 0.00 0.00 -0.08 0.00 0.00 99 V 7.61 3.44 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 0.89 0.00 0.00 0.88 0.00 0.00 100 A 7.78 3.69 1.13 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 0.00 0.00 101 L 7.68 3.55 0.00 1.69 1.72 1.00 1.08 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 0.00 102 V 7.83 3.58 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 1.04 0.00 0.00 0.95 0.00 0.00 103 V 7.72 3.65 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 1.03 0.00 0.00 0.94 0.00 0.00 104 Y 7.96 4.56 0.00 3.25 3.01 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 0.00 0.00 0.00 105 V 7.82 3.72 2.45 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 1.43 0.00 0.00 1.19 0.00 0.00 106 I 8.13 3.93 2.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.80 1.01 0.00 0.00 107 Y 8.81 4.29 0.00 3.08 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 0.00 108 G 8.16 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 0.00 109 F 8.12 3.65 0.00 2.95 2.60 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 0.00 110 V 6.77 2.00 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 0.78 0.00 0.00 0.92 0.00 0.00 111 V 7.25 3.38 1.75 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 0.71 0.00 0.00 0.04 0.00 0.00 112 V 7.35 3.58 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 0.94 0.00 0.00 0.84 0.00 0.00 113 W 7.82 4.54 0.00 3.42 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 0.00 114 G 7.44 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 0.00 0.00 0.00 115 V 7.77 4.03 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 0.73 0.00 0.00 0.93 0.00 0.00