NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6473 8.1476 120.6163 55.6404 33.8166 173.9402 2 E 4.8634 8.5113 122.1600 54.6545 32.9609 172.8816 3 A 4.4096 8.9253 123.4683 50.1870 22.0262 177.4854 4 K 4.6006 8.5355 121.2356 56.2633 34.3476 176.7734 5 A 4.2712 7.7277 116.9689 51.8219 22.6852 175.4072 6 I 4.8584 8.6133 122.4017 60.2467 40.0344 176.2585 7 A 4.6313 8.4044 129.1362 50.2098 18.5721 176.5000 8 R 4.2520 8.3635 119.1305 56.6764 31.4150 175.7343 9 Y 3.3616 8.0423 114.5224 59.1258 35.2619 170.0022 10 V 4.1508 7.7402 119.0417 60.6579 34.5997 174.5374 11 R 4.2203 8.7543 128.2556 56.8758 29.2530 175.7051 12 I 3.9564 7.1887 121.3877 60.2673 42.2419 173.1362 13 S 4.2575 8.0556 122.7199 57.3163 63.1761 172.4643 14 P 4.2096 0.0000 0.0000 66.2613 30.8584 178.4616 15 R 3.8749 8.1555 115.8202 59.6922 28.4040 178.9836 16 K 4.1100 8.1587 117.9233 59.3746 32.0820 179.7350 17 V 3.9735 7.7126 111.9681 63.7251 31.6250 178.3425 18 R 3.9521 8.6464 118.6702 59.4328 29.7003 178.7063 19 L 3.9746 7.1916 117.1690 57.8330 41.9885 179.3398 20 V 3.7366 7.1266 115.9853 66.1539 31.4782 177.7429 21 V 3.5456 8.0770 118.0394 66.5962 30.9888 177.6390 22 D 4.4865 8.3620 118.1548 57.3027 40.3572 179.2460 23 L 4.1249 7.6490 119.1694 57.3101 41.6962 178.0228 24 I 4.1964 7.3302 109.2699 60.4251 37.6286 175.6167 25 R 3.8106 7.3850 120.6096 58.0997 29.1426 176.2002 26 G 4.3127 8.6809 116.3778 46.4865 0.0000 171.1780 27 K 4.7561 7.4077 116.4970 53.4205 36.6545 176.5762 28 S 4.3272 8.5259 114.5853 58.2956 64.1747 174.5329 29 L 3.8961 8.2386 129.6032 58.6733 41.7931 179.1092 30 E 3.9010 8.1750 118.1378 59.3518 29.2399 178.0798 31 E 3.9157 8.3585 118.4765 59.5139 29.5658 178.6978 32 A 4.0087 8.6483 120.7036 55.1266 18.4873 179.4363 33 R 3.8654 8.3502 117.1600 59.8867 29.6938 178.8898 34 N 4.4166 8.3337 115.7709 56.3688 38.5171 177.4501 35 I 3.7848 7.4365 120.7187 64.6154 37.0360 178.5357 36 L 4.1011 7.8219 118.2754 57.3897 41.4719 179.1317 37 R 3.9025 7.8050 118.3929 58.7057 30.1226 176.5769 38 Y 4.6462 7.3973 111.6097 57.4981 39.8333 175.9910 39 T 3.9613 7.7640 114.9970 62.5305 68.0370 173.9449 40 N 4.8065 8.3762 127.1949 51.4454 37.2922 173.7037 41 K 4.6827 7.3931 119.6997 53.6224 37.0602 177.2807 42 R 4.1962 8.7286 121.1191 59.3069 30.1217 178.9658 43 G 3.9563 8.2877 104.6797 47.0326 0.0000 175.1539 44 A 3.9858 7.6757 122.3249 55.4397 18.4373 178.6508 45 Y 3.9701 7.5625 116.3754 61.1591 38.7570 178.7421 46 F 3.9859 8.1393 117.6874 60.5444 39.3254 177.4959 47 V 3.5911 8.0778 117.5805 66.5686 31.1277 177.7231 48 A 3.9068 8.4533 120.7670 54.7251 18.2315 179.0948 49 K 3.5839 7.9015 117.4303 59.5907 32.1336 179.5097 50 V 3.5326 7.8598 119.0048 64.8408 31.3804 177.9426 51 L 3.8555 7.6231 120.2904 57.7561 41.9702 178.2111 52 E 3.9587 8.7593 119.3300 59.4381 29.6022 178.5676 53 S 3.9974 8.0157 112.4087 61.4734 62.4291 176.1072 54 A 3.9349 8.0927 123.2459 55.1345 18.0409 179.5326 55 A 3.8830 8.2455 119.1758 55.1471 18.5056 179.4421 56 A 3.9511 7.9701 118.8619 55.7125 18.1355 179.5294 57 N 4.3191 8.1661 113.3950 56.2963 38.8998 177.0714 58 A 4.1368 7.8416 122.0493 55.4270 18.2253 179.5564 59 V 4.0717 7.8567 118.0183 65.3408 31.5707 177.2043 60 N 4.8113 8.1642 113.8274 53.9625 38.5983 175.6724 61 N 4.9712 7.8255 114.3734 53.7568 42.4812 175.0432 62 H 4.7748 8.1217 113.8926 55.4963 30.9631 172.9823 63 D 4.3581 7.9792 116.6804 54.6737 38.3266 173.3067 64 M 5.0683 7.7289 118.0709 53.8874 34.2919 175.8021 65 L 4.4661 8.2447 122.9246 53.6139 42.7232 177.0508 66 E 3.8812 9.1237 124.9392 59.7285 29.4698 178.1105 67 D 4.7078 8.0578 114.4953 55.4629 41.0905 176.5219 68 R 4.7316 8.5001 115.5378 55.1842 30.5684 174.0480 69 L 5.5599 8.0719 118.4252 53.9744 43.2062 174.9991 70 Y 5.0593 8.3726 119.2851 56.4305 41.8607 174.7790 71 V 4.2769 8.1036 115.0670 60.6708 31.4033 176.8920 72 K 3.8086 7.6334 126.9162 59.1215 32.6914 175.3467 73 A 4.5240 7.2179 117.7510 51.5271 23.3015 174.9784 74 A 4.6508 8.5504 117.5731 52.0363 21.6890 175.4363 75 Y 4.9235 8.3087 117.7656 56.1491 41.6657 173.6461 76 V 4.8727 8.5573 119.9940 60.1055 34.1666 174.2148 77 D 5.0942 8.9353 121.6786 52.4718 44.9394 173.8706 78 E 4.5496 8.8626 124.8228 55.4238 30.6393 175.6927 79 G 4.1509 7.8306 115.1945 43.3042 0.0000 170.7878 80 P 4.3996 0.0000 0.0000 63.5477 31.7955 175.3645 81 A 4.5923 8.4383 123.8001 50.8565 20.7189 177.2105 82 L 4.4132 8.4398 121.3517 53.0369 41.8950 176.0643 83 K 4.3450 8.3420 122.9033 56.5827 33.1811 176.2905 84 R 4.7411 8.6181 121.2045 55.1338 35.1466 174.0845 85 V 4.5961 8.2713 112.1856 60.1872 34.2610 176.5236 86 L 4.4776 8.2821 124.5947 52.8708 44.5283 173.3707 87 P 4.3909 0.0000 0.0000 63.3329 32.0777 175.8653 88 R 4.7613 8.6435 122.4544 54.0616 34.2693 174.1977 89 A 4.2619 8.7778 125.3812 53.1702 18.7849 177.5219 90 R 3.7935 9.5685 115.1964 56.6210 28.4157 176.9600 91 G 3.8218 7.6888 103.9408 46.5597 0.0000 173.9206 92 R 4.7676 8.1939 117.8701 54.3672 34.0810 176.0268 93 A 5.1267 8.6086 124.3063 50.3337 21.0745 175.4970 94 D 5.0023 8.5643 121.8158 52.2322 45.4247 175.2245 95 I 5.1640 8.2438 115.6652 59.3178 38.6857 174.9809 96 I 3.9097 8.2996 128.4917 60.4517 39.2974 174.5607 97 K 4.4604 8.5049 131.2640 54.6992 31.9230 174.5564 98 K 4.2874 8.5080 123.2231 55.4540 31.4626 176.6682 99 R 4.4606 8.2544 124.7298 56.1667 32.1811 174.3785 100 T 5.0042 7.7531 114.6015 60.7353 70.6205 172.1514 101 S 4.7069 8.3594 116.5650 57.3143 67.8493 173.6576 102 H 5.1597 9.5930 121.5136 54.0931 30.3745 172.5745 103 I 4.1645 8.1477 124.2301 61.0247 38.2795 175.2493 104 T 4.1978 8.7358 126.3269 61.9554 69.7021 174.1073 105 V 4.6415 8.2695 127.5941 60.7717 34.3440 174.4703 106 I 4.7766 8.2420 120.1025 59.4612 40.6698 174.7818 107 L 5.0188 7.7161 124.8558 54.8202 45.0170 175.7671 108 G 4.2061 7.7517 108.9819 45.9056 0.0000 172.0746 109 E 4.2220 7.5059 120.1329 56.9155 30.7814 177.1324 110 K 4.3268 8.8887 127.1433 57.7103 32.2358 178.1273 111 H 4.9697 9.2338 115.8832 54.6407 32.1333 174.6880 112 G 3.6711 8.5819 106.4486 46.4955 0.0000 172.4813 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 8.15 4.65 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.63 0.00 2 E 8.51 4.86 0.00 2.10 1.81 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 2.16 2.34 0.00 3 A 8.93 4.41 1.07 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 4 K 8.54 4.60 0.00 1.62 1.73 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.41 7.81 5 A 7.73 4.27 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 6 I 8.61 4.86 1.84 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 1.17 0.66 0.92 0.00 0.00 7 A 8.40 4.63 1.25 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 0.00 0.00 0.00 8 R 8.36 4.25 0.00 1.74 2.20 0.00 3.32 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 9 Y 8.04 3.36 0.00 3.03 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 10 V 7.74 4.15 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 0.26 0.00 0.00 0.99 0.00 0.00 11 R 8.75 4.22 0.00 1.71 1.89 0.00 3.46 0.00 0.00 3.14 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 12 I 7.19 3.96 1.56 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 1.07 0.48 0.68 0.00 0.00 13 S 8.06 4.26 0.00 3.87 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 14 P 0.00 4.21 0.00 2.18 2.10 0.00 3.65 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.29 0.00 15 R 8.16 3.87 0.00 1.84 2.02 0.00 3.12 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 16 K 8.16 4.11 0.00 1.98 1.87 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.48 7.81 17 V 7.71 3.97 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 0.87 0.00 0.00 0.96 0.00 0.00 18 R 8.65 3.95 0.00 1.99 2.03 0.00 3.15 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 1.68 1.98 0.00 19 L 7.19 3.97 0.00 1.75 1.76 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.13 3.74 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 1.03 0.00 0.00 0.99 0.00 0.00 21 V 8.08 3.55 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 1.00 0.00 0.00 1.01 0.00 0.00 22 D 8.36 4.49 0.00 2.92 2.75 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 23 L 7.65 4.12 0.00 1.94 1.75 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.33 4.20 1.89 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 1.36 0.59 0.93 0.00 0.00 25 R 7.38 3.81 0.00 1.87 2.12 0.00 3.36 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 26 G 8.68 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 0.00 0.00 0.00 0.00 27 K 7.41 4.76 0.00 2.00 1.71 0.00 1.68 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.59 7.81 28 S 8.53 4.33 0.00 3.96 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 29 L 8.24 3.90 0.00 1.93 1.69 0.91 0.99 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 30 E 8.18 3.90 0.00 2.09 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 2.40 2.39 0.00 31 E 8.36 3.92 0.00 2.10 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 2.41 2.42 0.00 32 A 8.65 4.01 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 33 R 8.35 3.87 0.00 2.03 2.02 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 34 N 8.33 4.42 0.00 2.96 2.95 0.00 0.00 7.10 6.90 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 35 I 7.44 3.78 2.05 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 1.56 1.05 0.94 0.00 0.00 36 L 7.82 4.10 0.00 1.77 1.70 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.81 3.90 0.00 1.70 2.13 0.00 2.83 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.67 0.00 38 Y 7.40 4.65 0.00 3.03 2.90 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 39 T 7.76 3.96 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 1.29 0.00 0.00 40 N 8.38 4.81 0.00 2.73 2.75 0.00 0.00 6.85 6.68 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 41 K 7.39 4.68 0.00 1.82 1.67 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.40 7.81 42 R 8.73 4.20 0.00 1.93 2.00 0.00 3.23 0.00 0.00 3.43 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.75 0.00 43 G 8.29 3.96 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 0.00 0.00 0.00 44 A 7.68 3.99 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 45 Y 7.56 3.97 0.00 2.95 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 46 F 8.14 3.99 0.00 3.17 3.07 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 47 V 8.08 3.59 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 1.01 0.00 0.00 1.02 0.00 0.00 48 A 8.45 3.91 1.29 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 0.00 0.00 49 K 7.90 3.58 0.00 1.41 1.71 0.00 1.44 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.35 1.33 7.81 50 V 7.86 3.53 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 0.81 0.00 0.00 0.95 0.00 0.00 51 L 7.62 3.86 0.00 1.73 1.97 0.90 0.74 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 52 E 8.76 3.96 0.00 2.10 2.01 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 2.26 2.33 0.00 53 S 8.02 4.00 0.00 3.88 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 54 A 8.09 3.93 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 55 A 8.25 3.88 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 56 A 7.97 3.95 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 57 N 8.17 4.32 0.00 2.86 2.94 0.00 0.00 7.04 6.89 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 58 A 7.84 4.14 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 59 V 7.86 4.07 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 1.37 0.00 0.00 1.02 0.00 0.00 60 N 8.16 4.81 0.00 2.74 2.83 0.00 0.00 6.96 7.46 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 61 N 7.83 4.97 0.00 2.78 2.56 0.00 0.00 6.68 8.01 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 62 H 8.12 4.77 0.00 3.24 3.23 0.00 6.02 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.98 4.36 0.00 2.86 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 64 M 7.73 5.07 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.61 0.00 65 L 8.24 4.47 0.00 1.72 1.60 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 66 E 9.12 3.88 0.00 2.00 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 2.39 2.37 0.00 67 D 8.06 4.71 0.00 2.72 2.71 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 68 R 8.50 4.73 0.00 1.94 2.07 0.00 2.73 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 69 L 8.07 5.56 0.00 1.76 1.82 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.37 5.06 0.00 3.27 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 71 V 8.10 4.28 2.28 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 1.04 0.00 0.00 1.04 0.00 0.00 72 K 7.63 3.81 0.00 1.44 1.73 0.00 1.84 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.52 7.81 73 A 7.22 4.52 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 74 A 8.55 4.65 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 75 Y 8.31 4.92 0.00 2.94 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 76 V 8.56 4.87 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 0.76 0.00 0.00 0.93 0.00 0.00 77 D 8.94 5.09 0.00 2.87 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 78 E 8.86 4.55 0.00 2.00 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 2.20 2.26 0.00 79 G 7.83 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 0.00 0.00 0.00 0.00 80 P 0.00 4.40 0.00 1.96 2.11 0.00 3.46 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 81 A 8.44 4.59 1.19 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 0.00 0.00 0.00 82 L 8.44 4.41 0.00 1.78 1.61 0.85 0.72 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 83 K 8.34 4.34 0.00 1.63 1.73 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.45 7.81 84 R 8.62 4.74 0.00 1.69 1.78 0.00 3.25 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 85 V 8.27 4.60 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 0.67 0.00 0.00 0.93 0.00 0.00 86 L 8.28 4.48 0.00 1.70 1.61 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.39 0.00 1.97 1.99 0.00 3.67 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 2.03 2.10 0.00 88 R 8.64 4.76 0.00 1.96 1.69 0.00 3.16 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 89 A 8.78 4.26 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 90 R 9.57 3.79 0.00 1.92 1.98 0.00 3.34 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 91 G 7.69 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 92 R 8.19 4.77 0.00 1.78 1.79 0.00 3.08 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 93 A 8.61 5.13 1.19 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 0.00 0.00 0.00 94 D 8.56 5.00 0.00 2.54 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 95 I 8.24 5.16 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 1.20 0.96 0.92 0.00 0.00 96 I 8.30 3.91 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 1.22 1.19 0.90 0.00 0.00 97 K 8.50 4.46 0.00 1.76 1.67 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.41 7.81 98 K 8.51 4.29 0.00 1.75 1.73 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.40 7.81 99 R 8.25 4.46 0.00 1.71 1.81 0.00 3.03 0.00 0.00 3.55 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 100 T 7.75 5.00 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 1.05 0.00 0.00 101 S 8.36 4.71 0.00 3.57 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 0.00 102 H 9.59 5.16 0.00 3.04 3.22 0.00 5.63 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.15 4.16 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.48 0.87 0.00 0.00 104 T 8.74 4.20 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 0.81 0.00 0.00 105 V 8.27 4.64 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 0.93 0.00 0.00 0.86 0.00 0.00 106 I 8.24 4.78 1.81 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 1.37 0.69 0.87 0.00 0.00 107 L 7.72 5.02 0.00 1.55 1.51 0.84 0.78 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 0.00 108 G 7.75 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 0.00 0.00 0.00 0.00 109 E 7.51 4.22 0.00 1.80 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 2.36 2.43 0.00 110 K 8.89 4.33 0.00 2.03 1.37 0.00 1.24 0.00 0.00 1.43 0.00 0.00 2.84 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.49 1.65 7.81 111 H 9.23 4.97 0.00 3.13 3.12 0.00 5.59 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 0.00 112 G 8.58 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