NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4497 8.2893 120.3487 56.1857 32.4413 174.4338 2 M 4.2530 8.0309 120.2792 54.0038 33.4649 172.9187 3 R 4.3272 9.4419 122.4867 55.1606 32.1020 176.9288 4 L 4.4790 8.2709 122.9637 52.5370 43.2050 176.2400 5 A 4.0030 8.5794 126.6436 52.6935 18.4048 176.9685 6 N 4.7504 8.8154 120.0600 53.6765 38.8617 175.7218 7 G 3.8038 7.5121 109.8016 45.1702 0.0000 171.9020 8 I 4.4767 8.0805 116.3525 58.9465 40.0032 176.3153 9 V 3.6828 8.4398 122.9582 65.5458 31.6239 175.7737 10 L 4.9178 7.5347 115.9894 52.7939 45.5362 175.0744 11 D 5.1891 8.4282 118.9586 51.4428 41.4671 175.8562 12 K 4.6558 8.1270 119.6960 55.2947 35.3489 175.5271 13 D 4.7922 8.5490 120.0010 53.6419 39.5997 178.3320 14 T 4.0220 7.8582 111.7720 65.0164 68.7840 175.2765 15 T 3.9497 7.8350 110.5040 62.1631 68.7412 173.6403 16 F 4.1367 8.8959 128.1517 57.6389 41.0970 175.0109 17 G 3.9363 7.7964 112.6777 45.6362 0.0000 175.6358 18 E 4.4701 9.2345 133.0547 54.6347 31.3535 174.5529 19 L 4.6672 8.4103 126.3220 53.4278 43.1784 175.9273 20 K 5.0916 8.4178 123.5940 53.9538 35.7623 176.0725 21 F 4.3170 8.8064 127.0002 59.0475 40.1588 173.9039 22 S 4.1374 7.6718 118.2691 58.9998 64.9658 174.2202 23 A 4.2313 6.6732 117.6366 51.2779 22.9391 173.7924 24 L 4.4776 8.3346 121.0248 53.8371 41.8162 176.3538 25 R 3.9999 8.6113 126.7105 58.0463 30.3042 176.2706 26 R 4.2754 7.8138 115.0182 55.5705 34.3935 172.9145 27 E 4.7982 8.8003 126.4034 54.7863 29.9590 175.8042 28 V 3.8367 8.3232 118.7140 61.3554 32.8117 175.9980 29 R 5.0453 8.3591 122.6746 53.9351 34.0691 175.3639 30 I 3.9431 8.4602 121.3947 61.2147 37.7875 175.7940 31 Q 4.4566 8.5840 129.0780 55.2834 30.0894 175.1840 32 N 4.7045 8.7339 122.6513 52.5845 39.5352 176.1849 33 E 4.0158 8.7612 120.6700 59.7005 29.7625 178.5575 34 D 4.4089 8.1741 117.5372 56.4757 41.1542 175.6925 35 G 3.6174 7.6028 112.0075 45.6255 0.0000 174.4080 36 S 4.2375 7.7381 118.8048 57.8833 63.5502 173.8633 37 V 4.2184 7.9489 122.6062 61.8355 32.4101 175.8302 38 S 4.4991 8.6590 121.4072 57.5335 63.1726 173.5490 39 D 4.6039 8.3529 120.2819 54.0393 40.0118 176.6074 40 E 4.2688 7.8877 120.7261 56.0534 30.3230 175.9612 41 I 4.2824 8.0328 122.7953 61.2690 38.2629 174.5183 42 K 4.4679 9.4049 124.0365 57.6705 34.3257 175.5475 43 E 5.2239 7.9186 117.1032 54.7485 34.9241 173.9132 44 R 4.7143 9.2085 120.4895 54.8764 33.2061 175.0674 45 T 4.9718 8.8522 122.2188 62.5820 69.7016 173.8235 46 Y 4.9564 9.3058 124.5417 56.3587 41.6205 174.7498 47 D 4.9225 9.0020 122.5082 53.1696 42.4424 175.5864 48 L 5.2346 8.3132 123.7416 52.5218 45.5759 175.8698 49 K 4.9023 8.5467 122.7340 55.5160 34.7732 175.5880 50 S 5.8596 8.3409 116.2547 55.3457 66.4143 173.4245 51 K 3.9957 8.9152 121.6045 57.0706 32.3153 176.7688 52 G 4.3948 8.7199 119.7074 46.9279 0.0000 172.5143 53 Q 4.2535 9.2022 121.3082 55.3851 30.1041 175.7950 54 G 3.8392 8.1551 105.5933 46.7928 0.0000 173.5103 55 R 4.6376 8.0299 118.0160 53.7520 32.2335 175.8568 56 M 4.4481 8.6899 121.2422 55.2158 31.9774 175.5950 57 I 3.7771 8.4199 118.2970 59.4350 40.2363 175.1000 58 Q 4.4705 7.9053 124.7674 54.9098 29.7634 174.8123 59 V 4.6014 8.3223 125.9973 61.4667 33.2065 174.3945 60 S 5.4983 8.9680 123.9409 56.5143 64.5811 172.6682 61 I 5.1671 8.5188 120.8370 58.1155 40.5057 173.5459 62 P 4.7821 0.0000 0.0000 62.7939 32.0101 176.7435 63 A 4.0398 8.6958 123.2691 55.4242 18.2259 179.5793 64 S 4.1066 8.3266 110.2077 60.8104 63.1501 174.4816 65 V 4.0565 7.5650 121.0526 60.6137 31.9380 174.0169 66 P 4.4988 0.0000 0.0000 62.0316 32.0667 175.6680 67 L 4.1923 8.1153 120.4792 54.3485 42.5596 176.5277 68 K 3.9955 8.2586 124.5581 54.5343 32.7797 177.0364 69 E 4.1079 7.9857 126.0192 55.5982 27.3527 176.5545 70 F 4.8765 6.8475 119.6496 55.7334 41.1849 175.7274 71 D 4.7680 8.2732 122.6818 52.3502 40.5602 174.9000 72 Y 4.4348 8.5031 120.9518 58.9724 39.0676 175.0417 73 N 4.1096 8.7782 123.1950 53.6998 36.9869 174.0651 74 A 4.0614 7.6573 120.9879 52.0846 19.7355 177.8932 75 R 4.4352 8.4997 121.7711 56.1645 31.0930 176.1864 76 V 4.8845 8.7239 117.6116 59.3381 35.6958 174.9336 77 E 4.7632 9.1890 119.4245 54.7875 33.2015 174.1990 78 L 4.6064 8.3559 121.2180 53.6285 42.8668 176.2223 79 I 3.6827 8.4673 124.9328 63.2564 36.6816 176.5318 80 N 5.0687 7.8882 122.6940 50.7400 39.6043 169.8111 81 P 4.8986 0.0000 0.0000 61.9893 33.1307 176.1036 82 I 4.7150 8.9148 116.8605 59.0012 40.8747 174.0667 83 A 4.8591 8.9851 129.3591 51.5948 18.8541 176.6805 84 D 4.7967 8.5272 122.7442 52.9935 41.5633 176.6583 85 T 4.7500 8.2261 111.1721 62.8842 69.8721 176.1941 86 V 3.8564 8.0072 117.5339 63.7592 31.6230 178.1807 87 A 3.9833 8.4287 121.0563 55.3340 18.1118 179.5438 88 T 4.2325 7.8476 104.9787 63.6698 68.9841 175.3777 89 A 4.2329 7.4568 122.2393 53.9593 18.9108 177.7305 90 T 4.1672 7.6412 109.4932 62.1685 69.1028 173.6470 91 Y 4.7694 7.6439 118.1400 56.6806 39.8692 175.0902 92 Q 4.4080 8.6614 122.2110 56.7905 31.7312 173.1136 93 G 4.1500 9.3041 113.6624 45.6567 0.0000 174.0551 94 A 4.2120 7.6870 120.5691 54.2423 18.9880 177.9736 95 D 4.9165 7.7677 115.3277 53.9065 38.7566 176.0422 96 V 3.9010 7.8536 116.1591 62.6122 32.4709 175.8857 97 D 5.0678 7.6112 117.1876 51.8419 44.5848 174.5101 98 W 4.7967 8.5710 116.9343 55.7442 30.3589 174.5667 99 Y 4.8547 8.6843 118.6447 56.4327 40.4762 174.7747 100 I 4.7541 8.7897 124.0090 59.3696 40.4799 174.7295 101 K 4.7828 9.0233 127.9250 55.8741 33.1596 176.4758 102 A 5.2502 8.7897 126.0767 49.4047 21.9826 175.4593 103 D 4.5247 8.8300 118.0631 56.3529 41.5612 175.5723 104 D 4.8120 7.7804 116.3095 52.7334 45.5079 173.1570 105 I 4.6235 8.3051 123.6071 59.8402 39.0497 175.1905 106 V 4.6663 8.2417 119.1842 59.0979 35.8669 174.9816 107 L 4.4335 8.2702 121.0172 54.2072 42.7120 177.5878 108 T 4.0839 8.1725 119.1798 64.1184 67.7903 174.5421 109 L 4.2371 8.6840 127.4248 56.5484 41.3442 177.0529 110 E 4.2009 7.9861 123.6552 56.5722 29.6002 175.7487 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 8.29 4.45 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 2 M 8.03 4.25 0.00 2.18 1.96 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 3 R 9.44 4.33 0.00 1.82 1.91 0.00 3.19 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 4 L 8.27 4.48 0.00 1.62 1.59 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.58 4.00 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 6 N 8.82 4.75 0.00 2.84 2.94 0.00 0.00 6.01 7.00 0.00 0.00 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 G 7.51 3.80 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 0.00 0.00 0.00 8 I 8.08 4.48 2.00 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 1.30 0.74 0.91 0.00 0.00 9 V 8.44 3.68 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 0.77 0.00 0.00 0.93 0.00 0.00 10 L 7.53 4.92 0.00 1.61 1.52 0.92 0.98 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 11 D 8.43 5.19 0.00 2.76 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 8.13 4.66 0.00 1.85 1.79 0.00 1.61 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.71 1.34 7.81 13 D 8.55 4.79 0.00 2.83 2.91 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 14 T 7.86 4.02 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 15 T 7.84 3.95 4.27 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 1.22 0.00 0.00 16 F 8.90 4.14 0.00 3.16 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 17 G 7.80 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 18 E 9.23 4.47 0.00 1.94 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 0.00 2.32 2.33 0.00 19 L 8.41 4.67 0.00 1.84 1.56 0.86 0.76 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 20 K 8.42 5.09 0.00 1.62 1.54 0.00 1.73 0.00 0.00 1.55 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.30 7.81 21 F 8.81 4.32 0.00 3.16 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 22 S 7.67 4.14 0.00 3.68 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 23 A 6.67 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.33 4.48 0.00 1.70 1.61 0.15 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.61 4.00 0.00 2.09 2.03 0.00 3.33 0.00 0.00 3.10 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.65 0.00 26 R 7.81 4.28 0.00 1.86 1.64 0.00 3.10 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.50 0.00 27 E 8.80 4.80 0.00 1.83 1.86 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 2.09 2.20 0.00 28 V 8.32 3.84 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 0.75 0.00 0.00 1.01 0.00 0.00 29 R 8.36 5.05 0.00 1.65 2.03 0.00 3.20 0.00 0.00 3.42 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.78 0.00 30 I 8.46 3.94 1.87 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 1.11 0.77 0.91 0.00 0.00 31 Q 8.58 4.46 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 7.02 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 32 N 8.73 4.70 0.00 2.92 2.71 0.00 0.00 6.96 7.20 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 33 E 8.76 4.02 0.00 1.95 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 0.00 2.31 2.34 0.00 34 D 8.17 4.41 0.00 2.64 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 35 G 7.60 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.74 4.24 0.00 3.90 3.80 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 37 V 7.95 4.22 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 0.88 0.00 0.00 0.93 0.00 0.00 38 S 8.66 4.50 0.00 3.80 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 39 D 8.35 4.60 0.00 2.82 2.76 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 40 E 7.89 4.27 0.00 2.06 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 0.00 2.31 2.42 0.00 41 I 8.03 4.28 1.87 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 1.22 0.75 0.93 0.00 0.00 42 K 9.40 4.47 0.00 1.80 1.89 0.00 1.47 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.43 7.81 43 E 7.92 5.22 0.00 1.91 1.84 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 2.30 2.34 0.00 44 R 9.21 4.71 0.00 1.80 1.54 0.00 3.23 0.00 0.00 3.33 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 45 T 8.85 4.97 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 1.22 0.00 0.00 46 Y 9.31 4.96 0.00 2.87 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 47 D 9.00 4.92 0.00 2.53 2.47 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 48 L 8.31 5.23 0.00 1.39 1.41 0.83 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.55 4.90 0.00 1.79 1.86 0.00 1.23 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.47 7.81 50 S 8.34 5.86 0.00 4.14 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 51 K 8.92 4.00 0.00 1.70 1.82 0.00 1.93 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.53 7.81 52 G 8.72 4.39 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 0.00 53 Q 9.20 4.25 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.44 0.00 0.00 0.00 0.00 0.00 2.29 2.21 0.00 54 G 8.16 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 0.00 0.00 0.00 55 R 8.03 4.64 0.00 2.06 2.18 0.00 3.62 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 56 M 8.69 4.45 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 57 I 8.42 3.78 1.11 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.43 0.66 0.00 0.00 58 Q 7.91 4.47 0.00 1.73 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.10 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 59 V 8.32 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 0.88 0.00 0.00 0.73 0.00 0.00 60 S 8.97 5.50 0.00 3.98 3.73 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 61 I 8.52 5.17 1.92 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 1.78 1.06 0.97 0.00 0.00 62 P 0.00 4.78 0.00 2.15 2.24 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 63 A 8.70 4.04 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 64 S 8.33 4.11 0.00 3.88 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 65 V 7.56 4.06 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 0.81 0.00 0.00 1.02 0.00 0.00 66 P 0.00 4.50 0.00 2.19 2.03 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 67 L 8.12 4.19 0.00 1.63 1.59 1.05 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.26 4.00 0.00 1.08 0.74 0.00 1.67 0.00 0.00 1.50 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.08 1.17 7.81 69 E 7.99 4.11 0.00 1.81 1.83 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 2.20 2.20 0.00 70 F 6.85 4.88 0.00 2.21 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 71 D 8.27 4.77 0.00 2.93 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 72 Y 8.50 4.43 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 73 N 8.78 4.11 0.00 2.87 2.87 0.00 0.00 7.15 7.57 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 74 A 7.66 4.06 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 75 R 8.50 4.44 0.00 1.69 1.81 0.00 3.04 0.00 0.00 3.31 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 76 V 8.72 4.88 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 0.51 0.00 0.00 0.95 0.00 0.00 77 E 9.19 4.76 0.00 1.93 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 2.28 2.25 0.00 78 L 8.36 4.61 0.00 1.52 1.59 0.76 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.47 3.68 1.87 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 1.39 0.74 0.95 0.00 0.00 80 N 7.89 5.07 0.00 2.61 2.72 0.00 0.00 6.66 8.05 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 81 P 0.00 4.90 0.00 2.07 2.00 0.00 3.74 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 82 I 8.91 4.71 1.93 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 1.35 0.72 0.95 0.00 0.00 83 A 8.99 4.86 1.66 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 0.00 0.00 84 D 8.53 4.80 0.00 2.70 2.76 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 85 T 8.23 4.75 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 1.26 0.00 0.00 86 V 8.01 3.86 2.06 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 1.07 0.00 0.00 0.98 0.00 0.00 87 A 8.43 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 7.85 4.23 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 1.53 0.00 0.00 89 A 7.46 4.23 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 90 T 7.64 4.17 4.02 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 0.63 0.00 0.00 91 Y 7.64 4.77 0.00 3.26 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 92 Q 8.66 4.41 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 5.63 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 93 G 9.30 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 94 A 7.69 4.21 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 95 D 7.77 4.92 0.00 2.81 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 96 V 7.85 3.90 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 0.76 0.00 0.00 0.90 0.00 0.00 97 D 7.61 5.07 0.00 2.41 2.56 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 0.00 98 W 8.57 4.80 0.00 3.53 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 99 Y 8.68 4.85 0.00 3.16 2.87 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 0.00 0.00 0.00 0.00 100 I 8.79 4.75 1.54 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 -0.19 0.75 0.00 0.00 101 K 9.02 4.78 0.00 1.74 1.75 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.57 7.81 102 A 8.79 5.25 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 0.00 103 D 8.83 4.52 0.00 2.69 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 0.00 104 D 7.78 4.81 0.00 2.78 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 0.00 0.00 0.00 105 I 8.31 4.62 1.74 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.63 0.94 0.00 0.00 106 V 8.24 4.67 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 0.85 0.00 0.00 0.96 0.00 0.00 107 L 8.27 4.43 0.00 1.42 1.41 0.79 -0.15 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 0.00 108 T 8.17 4.08 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 1.22 0.00 0.00 109 L 8.68 4.24 0.00 1.75 1.77 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 110 E 7.99 4.20 0.00 1.97 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 0.00 2.25 2.28 0.00