NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5414 8.3049 120.3334 55.6014 33.6408 175.5814 2 S 4.5647 8.2066 115.2378 54.8295 63.9708 171.8641 3 Q 4.9924 9.9109 132.0420 57.5536 36.9800 174.9527 4 F 5.1441 8.7259 117.8793 57.9288 38.7481 175.0236 5 T 4.5801 7.8006 116.1370 61.6711 72.3067 175.3123 6 L 4.3337 7.5263 126.0918 54.0591 40.2825 173.5618 7 Y 4.5032 8.7349 118.5006 56.4192 39.1681 176.0344 8 K 4.4674 9.1372 129.2112 56.7357 31.6806 177.0252 9 N 5.2037 9.2201 112.4813 52.6659 42.5249 174.3823 10 K 4.7931 8.7245 125.2494 59.2573 32.8788 175.7637 11 D 4.8001 7.9187 119.0265 51.4240 41.3074 176.2828 12 K 4.0194 8.5379 124.3930 58.9956 32.7955 179.2423 13 S 4.0802 8.1087 112.9277 61.2995 62.0136 175.5905 14 S 4.0919 8.7054 116.0641 61.3327 61.7809 175.8177 15 A 3.5821 7.4794 123.9376 53.9655 17.9240 179.1483 16 K 3.8725 7.6287 116.5361 59.5612 32.2191 177.6917 17 T 3.9712 7.4622 112.2357 64.4363 69.8454 174.3580 18 Y 4.6489 8.5386 122.1161 55.6449 40.3038 174.1605 19 P 3.8120 0.0000 0.0000 64.5414 32.3308 175.0241 20 Y 5.4835 6.9736 114.0766 56.4235 42.7607 173.6443 21 F 5.4889 10.1196 117.9880 57.3405 44.6040 174.0777 22 V 4.8273 8.4906 118.9038 61.0652 34.4235 174.0475 23 D 4.4734 8.7900 128.9570 55.1694 41.7738 176.7454 24 V 4.5108 8.3018 125.2158 60.5068 32.8725 173.4797 25 Q 4.4264 8.6279 135.0000 56.4589 33.7102 176.6608 26 S 3.9295 8.2233 113.3694 58.2287 62.3916 174.6031 27 D 4.3870 8.6937 126.1550 56.8495 41.3500 178.0065 28 L 4.1997 7.9322 118.5502 57.5040 41.8311 178.5143 29 L 4.5534 7.6326 117.0239 54.8993 41.8064 178.4023 30 D 4.9864 7.8987 119.2906 56.3830 40.9840 178.2442 31 N 5.4482 7.6666 113.0973 51.2646 37.3905 175.4482 32 L 3.9230 6.8763 119.6192 58.2715 42.6014 177.4358 33 N 4.8116 7.4228 110.1728 53.6166 42.7726 173.0910 34 T 4.4482 7.7435 107.4590 61.6658 71.2848 172.4614 35 R 4.5944 7.5636 117.8395 54.6387 35.4062 174.2737 36 L 4.8070 8.3889 124.8256 54.4625 43.3319 175.9784 37 V 5.4856 8.0038 117.9731 59.0894 35.3660 175.1851 38 I 4.2863 8.2975 123.8795 58.4398 37.9685 170.6111 39 P 5.0991 0.0000 0.0000 62.0729 32.0199 175.9485 40 L 4.9947 8.3891 124.9398 55.2749 43.4205 175.7226 41 T 5.0859 8.1881 114.0877 60.7399 71.4875 170.4844 42 P 5.2051 0.0000 0.0000 62.0089 31.5568 176.8683 43 I 3.5908 8.7207 125.3520 64.5308 37.3110 177.0355 44 E 4.0637 8.0812 120.5757 59.1388 29.8158 178.5926 45 L 4.0884 7.8910 118.1718 56.7895 41.9025 177.6830 46 L 4.4813 7.9559 119.7951 54.4054 42.0233 171.3995 47 D 4.6120 8.2712 125.8589 52.9504 40.6012 175.2375 48 K 3.9234 8.7110 125.5441 58.2854 32.6422 176.5599 49 K 4.4179 7.1853 117.9537 56.7382 32.9291 177.0237 50 A 4.1674 7.7197 121.5896 52.3064 19.2554 176.3862 51 P 4.4859 0.0000 0.0000 62.8093 32.2505 175.8766 52 S 4.6813 7.9987 111.4866 58.5240 62.3413 175.0984 53 H 4.6883 7.7843 115.9258 56.5151 29.7104 175.8840 54 L 4.5756 7.7960 117.3590 56.5674 43.8082 175.9106 55 C 4.2420 8.2044 118.6428 59.7857 28.6832 171.9824 56 P 4.5489 0.0000 0.0000 61.6542 31.9345 175.9546 57 T 4.6925 8.2722 121.6165 63.4475 69.6547 173.7871 58 I 3.7690 8.6365 115.6925 59.6116 41.5336 174.0179 59 H 5.1189 9.4711 119.7880 53.6931 29.6623 172.5213 60 I 4.4632 8.3353 117.0486 58.1945 40.5113 176.9767 61 D 4.3430 8.9197 119.3470 57.7214 40.6360 177.6828 62 E 4.0949 8.2941 115.8260 57.3260 29.8463 175.2562 63 G 3.5340 7.9821 104.7828 43.3471 0.0000 172.2518 64 D 5.0132 7.5754 118.2785 52.4741 40.8943 175.9246 65 F 5.2276 7.6189 117.5887 57.1113 44.2455 172.6806 66 I 4.7986 9.0317 113.0612 60.1811 40.6344 174.1924 67 M 4.0581 8.7232 127.9064 55.0606 32.0894 177.6124 68 L 4.3556 9.0498 129.0663 55.0786 39.7697 177.3352 69 T 4.1409 7.8464 110.4749 62.6706 69.5263 176.4501 70 Q 4.1168 8.0743 122.8212 58.2581 29.0204 175.1064 71 Q 4.2075 7.1908 113.2988 55.9700 31.3396 171.9385 72 M 3.4458 8.1503 126.2918 54.7914 32.6118 175.9684 73 T 4.6112 7.8842 119.6132 60.4713 71.6953 172.6336 74 S 4.9554 8.9834 124.9099 58.1130 62.7730 173.4092 75 V 4.1069 7.9632 125.8104 59.3894 32.9442 174.0245 76 P 4.3012 0.0000 0.0000 62.9058 32.1504 177.7657 77 V 3.4313 8.7934 123.6981 64.7587 31.4313 178.1392 78 K 3.7458 8.0657 118.6354 59.5286 31.9962 177.5295 79 I 4.2519 7.4229 118.2607 59.9653 38.3554 176.5438 80 L 4.0195 7.6151 119.8996 54.3497 40.4297 174.2915 81 S 3.6661 7.8939 118.0963 57.8682 64.7909 171.9975 82 E 3.9767 8.7610 124.0752 55.5381 28.9860 173.0402 83 P 4.1370 0.0000 0.0000 62.5433 30.6656 176.0112 84 V 4.1126 8.2263 123.4704 63.3662 32.7720 175.5466 85 N 4.5711 7.6269 117.5718 53.4232 42.1157 172.1411 86 E 4.9347 8.4750 113.2455 55.6143 32.9501 175.5134 87 L 4.8649 8.1738 121.6697 53.8160 40.3348 177.1735 88 S 3.9649 7.8706 119.6362 62.3270 63.1966 176.0068 89 T 3.2393 7.8023 114.4772 64.4481 67.1639 174.7556 90 F 4.8608 7.5473 118.0262 57.0393 39.1024 177.2861 91 R 3.1914 8.4699 120.2593 59.3583 28.5970 178.1845 92 N 4.3176 8.0540 117.4934 55.4818 37.2449 176.0857 93 E 3.9624 8.4470 121.5430 59.3330 29.0591 178.8764 94 I 3.8539 7.8181 119.3723 64.9940 36.9249 177.8556 95 I 4.0611 8.2236 120.9045 62.8809 37.0003 177.9539 96 A 4.0578 9.2242 122.1812 56.0665 18.4216 178.8750 97 A 3.9580 8.2118 118.0337 56.1365 18.2022 179.5665 98 I 3.6900 7.8343 114.9664 64.6730 37.5688 178.3760 99 D 3.8177 9.7863 118.3040 56.4754 40.9439 177.3946 100 F 4.6242 8.6918 120.5776 60.0319 40.2162 177.3605 101 L 3.7212 8.6140 119.0189 57.5567 42.0162 177.5320 102 I 4.2229 8.5357 119.1148 61.8051 38.2075 176.4873 103 T 4.3030 7.9605 107.4440 61.4846 70.6175 174.7037 104 G 4.2758 8.3815 109.8559 44.2468 0.0000 173.2625 105 I 3.6178 7.4772 124.1525 61.8899 37.7774 173.3233 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 4.54 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 2 S 8.21 4.56 0.00 4.01 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 3 Q 9.91 4.99 0.00 2.01 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.40 0.00 0.00 0.00 0.00 0.00 1.16 1.90 0.00 4 F 8.73 5.14 0.00 3.14 2.95 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 5 T 7.80 4.58 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 0.88 0.00 0.00 6 L 7.53 4.33 0.00 1.67 1.60 0.72 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.73 4.50 0.00 3.32 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 8 K 9.14 4.47 0.00 1.96 1.79 0.00 0.61 0.00 0.00 1.31 0.00 0.00 2.69 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.39 1.34 7.81 9 N 9.22 5.20 0.00 2.83 2.71 0.00 0.00 6.68 6.33 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 10 K 8.72 4.79 0.00 1.91 2.09 0.00 1.13 0.00 0.00 2.43 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.66 7.81 11 D 7.92 4.80 0.00 2.81 2.63 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 0.00 0.00 0.00 0.00 12 K 8.54 4.02 0.00 1.84 1.85 0.00 1.57 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.50 7.81 13 S 8.11 4.08 0.00 3.88 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 14 S 8.71 4.09 0.00 4.14 4.06 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 15 A 7.48 3.58 1.15 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 0.00 0.00 16 K 7.63 3.87 0.00 1.66 1.84 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.62 7.81 17 T 7.46 3.97 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 18 Y 8.54 4.65 0.00 2.77 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 19 P 0.00 3.81 0.00 0.49 1.55 0.00 3.47 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 1.89 2.00 0.00 20 Y 6.97 5.48 0.00 2.80 2.97 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 21 F 10.12 5.49 0.00 2.74 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 22 V 8.49 4.83 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 1.28 0.00 0.00 1.06 0.00 0.00 23 D 8.79 4.47 0.00 2.89 2.44 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 24 V 8.30 4.51 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 0.77 0.00 0.00 1.04 0.00 0.00 25 Q 8.63 4.43 0.00 1.97 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.67 0.00 0.00 0.00 0.00 0.00 2.08 2.19 0.00 26 S 8.22 3.93 0.00 4.00 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 27 D 8.69 4.39 0.00 2.63 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 28 L 7.93 4.20 0.00 1.65 1.68 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.63 4.55 0.00 1.67 1.62 0.90 0.92 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 30 D 7.90 4.99 0.00 2.79 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 31 N 7.67 5.45 0.00 2.81 2.92 0.00 0.00 6.32 7.78 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 32 L 6.88 3.92 0.00 1.80 1.65 0.91 0.87 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 33 N 7.42 4.81 0.00 2.60 2.69 0.00 0.00 6.48 7.04 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 34 T 7.74 4.45 4.15 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 1.15 0.00 0.00 35 R 7.56 4.59 0.00 1.67 1.65 0.00 3.00 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 36 L 8.39 4.81 0.00 1.73 1.71 0.88 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.00 5.49 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 0.83 0.00 0.00 0.84 0.00 0.00 38 I 8.30 4.29 1.94 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 1.05 0.96 0.00 0.00 39 P 0.00 5.10 0.00 2.10 2.48 0.00 3.96 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.96 0.00 40 L 8.39 4.99 0.00 1.60 1.59 0.84 0.73 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 41 T 8.19 5.09 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 1.43 0.00 0.00 42 P 0.00 5.21 0.00 2.39 2.44 0.00 3.86 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.03 0.00 43 I 8.72 3.59 2.06 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.49 0.90 0.00 0.00 44 E 8.08 4.06 0.00 2.01 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 0.00 2.39 2.34 0.00 45 L 7.89 4.09 0.00 1.68 1.71 0.95 0.90 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 46 L 7.96 4.48 0.00 1.67 1.65 0.97 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.27 4.61 0.00 2.95 2.74 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 48 K 8.71 3.92 0.00 1.69 1.83 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.48 7.81 49 K 7.19 4.42 0.00 1.94 1.87 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.38 7.81 50 A 7.72 4.17 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 51 P 0.00 4.49 0.00 2.11 2.08 0.00 3.74 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 2.02 2.00 0.00 52 S 8.00 4.68 0.00 3.76 3.78 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 53 H 7.78 4.69 0.00 3.26 3.36 0.00 5.71 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 54 L 7.80 4.58 0.00 1.66 1.75 1.18 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 55 C 8.20 4.24 0.00 2.87 2.96 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 0.00 0.00 0.00 56 P 0.00 4.55 0.00 2.07 2.17 0.00 3.55 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.20 0.00 57 T 8.27 4.69 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 0.97 0.00 0.00 58 I 8.64 3.77 1.64 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.78 0.47 0.00 0.00 59 H 9.47 5.12 0.00 3.08 3.22 0.00 5.66 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.34 4.46 1.96 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.15 1.11 0.00 0.00 61 D 8.92 4.34 0.00 2.68 2.81 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 62 E 8.29 4.09 0.00 2.32 2.41 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 2.43 2.38 0.00 63 G 7.98 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 64 D 7.58 5.01 0.00 2.48 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 0.00 0.00 0.00 0.00 65 F 7.62 5.23 0.00 2.73 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 66 I 9.03 4.80 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.58 0.89 0.00 0.00 67 M 8.72 4.06 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.50 0.00 68 L 9.05 4.36 0.00 1.94 1.60 1.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 69 T 7.85 4.14 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 1.26 0.00 0.00 70 Q 8.07 4.12 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 71 Q 7.19 4.21 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.85 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 72 M 8.15 3.45 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.67 0.00 73 T 7.88 4.61 4.19 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 0.00 0.00 1.16 0.00 0.00 74 S 8.98 4.96 0.00 3.74 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 75 V 7.96 4.11 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 0.31 0.00 0.00 0.62 0.00 0.00 76 P 0.00 4.30 0.00 2.12 1.98 0.00 3.50 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 77 V 8.79 3.43 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 0.92 0.00 0.00 0.93 0.00 0.00 78 K 8.07 3.75 0.00 1.86 2.00 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.38 7.81 79 I 7.42 4.25 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.15 0.85 0.00 0.00 80 L 7.62 4.02 0.00 1.65 1.61 0.76 0.27 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 81 S 7.89 3.67 0.00 4.52 4.61 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 82 E 8.76 3.98 0.00 2.29 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 0.00 2.39 2.42 0.00 83 P 0.00 4.14 0.00 2.09 2.01 0.00 3.77 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 84 V 8.23 4.11 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 0.91 0.00 0.00 1.04 0.00 0.00 85 N 7.63 4.57 0.00 2.80 2.65 0.00 0.00 6.78 7.58 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 86 E 8.48 4.93 0.00 2.06 1.82 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 2.17 2.28 0.00 87 L 8.17 4.86 0.00 2.09 1.99 1.08 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.87 3.96 0.00 3.83 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 89 T 7.80 3.24 4.05 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 0.69 0.00 0.00 90 F 7.55 4.86 0.00 3.28 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 91 R 8.47 3.19 0.00 0.67 0.66 0.00 2.36 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.42 0.00 92 N 8.05 4.32 0.00 2.97 3.13 0.00 0.00 5.82 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 93 E 8.45 3.96 0.00 2.40 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 2.14 2.46 0.00 94 I 7.82 3.85 2.32 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.22 1.10 0.00 0.00 95 I 8.22 4.06 2.07 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.35 1.00 0.00 0.00 96 A 9.22 4.06 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 97 A 8.21 3.96 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 98 I 7.83 3.69 2.23 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 1.44 1.17 0.95 0.00 0.00 99 D 9.79 3.82 0.00 2.96 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 0.00 100 F 8.69 4.62 0.00 3.08 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 0.00 101 L 8.61 3.72 0.00 1.63 2.01 0.97 1.36 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 I 8.54 4.22 1.95 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 1.35 0.74 0.90 0.00 0.00 103 T 7.96 4.30 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 1.37 0.00 0.00 104 G 8.38 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 0.00 0.00 0.00 0.00 105 I 7.48 3.62 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.75 0.96 0.00 0.00