NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.3305 8.1227 123.5822 52.4218 19.9229 176.7392 4 C 4.8033 8.2401 121.0498 52.8953 43.7167 172.0918 5 A 4.2456 9.0363 127.5113 51.3346 21.2595 177.1285 6 M 3.9877 8.4212 119.6564 58.6119 32.1870 178.4918 7 L 3.9421 7.7588 118.8457 57.8749 42.0454 178.9199 8 E 3.9429 8.1644 117.9586 59.4214 29.2931 179.7271 9 R 3.6753 7.9223 117.7210 59.2118 30.2557 178.5181 10 A 3.9812 7.9757 120.5855 55.3063 18.2251 179.7031 11 K 3.8348 8.3834 118.1036 59.6761 32.2738 179.1497 12 V 3.0928 7.9120 118.8165 65.7452 31.1901 177.9746 13 K 3.9828 8.4057 118.4122 59.6234 31.9742 178.6173 14 D 4.5135 8.1819 118.9778 57.9087 40.8401 179.4570 15 E 3.9660 8.4535 118.4794 59.1251 29.3956 179.0132 16 W 4.6208 8.9091 128.5992 60.7279 30.5962 177.4599 17 A 4.1326 8.6340 120.8514 55.2475 17.6076 179.3136 18 K 3.8238 7.9200 116.0970 59.6787 32.3640 178.5842 19 A 4.0805 8.2788 119.8119 55.4603 18.8767 178.7786 20 Y 3.1035 7.6719 118.9582 59.3295 38.5201 177.4980 21 G 3.6410 7.3791 107.9481 44.9474 0.0000 171.7691 22 I 4.0123 8.0584 116.9218 62.2143 38.1388 176.2280 23 G 3.8288 7.0568 105.4711 46.2040 0.0000 174.0077 24 A 4.0018 8.0434 122.9096 53.8569 19.1015 179.5531 25 A 3.9731 7.9052 119.3604 55.1970 18.3846 179.9075 26 R 3.9845 7.4110 117.8233 58.8827 30.0942 178.8986 27 S 4.1305 8.1076 112.3993 61.4119 62.2460 175.6508 28 K 3.8206 7.9840 122.0920 59.6752 31.8887 178.0205 29 F 4.0765 8.7034 121.0658 61.3505 39.3242 177.0298 30 G 3.9118 8.8435 105.5323 48.3210 0.0000 175.1520 31 D 4.4727 8.5937 121.8888 56.7775 40.7735 178.9026 32 A 3.7607 8.0995 121.4972 54.9811 18.3457 178.9833 33 L 3.7236 7.5725 120.3810 57.5723 42.0040 179.4938 34 W 3.4629 7.9517 118.3012 59.2098 28.8936 178.5296 35 R 3.8884 7.8477 118.8777 59.3993 29.4478 178.3172 36 N 3.8369 7.6859 116.0838 56.1017 38.5451 177.2060 37 V 3.2968 7.1656 119.6844 66.2821 31.4906 177.8796 38 F 4.9166 8.1426 115.8773 59.5769 38.6168 177.0276 39 N 4.6577 7.7062 115.0852 55.5305 38.8829 176.6206 40 Y 4.6240 8.4384 117.9654 59.7889 39.3786 176.2367 41 A 4.7812 8.2173 122.5318 49.1402 19.2304 174.2382 42 P 4.9635 0.0000 0.0000 64.4410 31.7626 179.3868 43 N 4.4580 8.2103 115.6139 55.4933 38.8744 176.3946 44 A 4.2170 8.2669 119.6141 53.5544 18.3182 179.3864 45 R 2.7837 7.4462 116.9697 59.1408 29.9165 178.0995 46 D 4.3144 7.3265 116.7488 57.3561 40.7802 178.7208 47 I 3.7928 7.3192 119.9615 63.4492 37.2711 176.5670 48 F 4.8492 8.3824 118.1547 57.2794 39.4361 177.7776 49 E 4.1218 8.1782 121.2025 58.9237 29.7603 178.9432 50 S 4.2528 8.1427 114.9849 60.7544 62.9816 174.9435 51 V 4.3376 7.5392 113.4845 61.2615 32.7894 175.2342 52 N 4.1086 8.0439 114.5011 54.9104 37.2879 174.7869 53 S 3.7981 7.6612 110.0538 59.2345 64.3889 176.1725 54 K 3.8417 8.0331 120.9593 59.1554 31.9813 176.6025 55 D 4.6353 7.3478 121.0698 52.2787 40.3458 176.0854 56 M 3.8991 8.4534 124.6658 56.8011 32.3387 176.3115 57 A 4.7582 8.0793 119.3266 52.2550 20.2097 177.3546 58 S 4.3702 8.3612 113.8376 57.5224 64.9837 173.4505 59 P 4.2402 0.0000 0.0000 66.2037 30.7015 178.3360 60 E 3.9573 8.3002 117.7639 59.5357 29.4494 179.1036 61 F 4.2656 8.3450 120.2521 61.0594 39.4622 177.4126 62 K 3.9086 8.5391 118.3594 59.3160 31.8114 179.0611 63 A 3.9787 8.4147 121.4927 55.2930 18.1988 179.0815 64 H 3.9757 7.7039 116.5935 59.4447 29.9090 177.1686 65 I 3.2632 7.3459 121.6180 64.3745 36.8954 177.8564 66 A 4.0801 8.2143 121.5501 55.4600 18.0946 179.9109 67 R 3.9075 7.9621 116.3988 59.3978 30.2241 179.6915 68 V 3.7170 7.9971 119.1957 64.9595 31.3720 178.3295 69 L 4.2753 8.6346 120.3883 57.4489 41.4410 179.6738 70 G 3.9411 8.5862 105.9832 47.6805 0.0000 175.9554 71 G 3.6013 8.4297 108.2562 47.6706 0.0000 175.4365 72 L 3.8013 8.3371 122.7751 57.5214 41.6311 179.2520 73 D 4.0500 8.5358 117.9643 57.3285 41.1061 178.3480 74 R 4.0534 8.0297 115.8340 59.2198 29.4685 178.7646 75 V 3.6489 7.8914 118.9650 65.8244 31.6060 177.8259 76 I 3.4794 7.4913 119.7835 64.5089 36.7630 178.5888 77 S 4.2451 8.1741 113.4443 61.0738 62.8764 175.3338 78 M 4.3763 7.7254 120.8641 55.2154 31.7523 177.5609 79 L 4.0217 7.9437 121.5603 57.0347 41.7599 176.9332 80 D 4.8455 7.7367 116.9370 52.8748 40.3080 177.1044 81 N 4.8849 8.1274 116.9411 52.1532 41.0802 174.1019 82 Q 3.9112 8.5789 122.4833 59.6806 29.0257 177.9720 83 A 3.6932 8.2125 117.9981 56.7220 18.2800 179.4847 84 T 3.7976 7.7525 110.9260 66.1215 69.0975 176.2238 85 L 3.8333 7.9237 122.3430 58.5796 42.0117 178.7718 86 D 4.2718 8.5605 118.3524 57.2992 40.7329 178.6497 87 A 3.9316 7.6023 120.9507 55.3722 18.3549 179.2018 88 D 4.2513 8.4782 116.8247 57.4464 41.2471 178.3809 89 L 3.9102 8.4391 119.7124 57.6778 41.6138 179.2106 90 A 3.9449 8.4150 121.0737 55.3759 18.4046 179.0709 91 H 4.0479 8.3596 116.7357 59.6172 29.9966 177.3991 92 L 4.0425 8.1628 120.8298 57.6430 41.3755 179.5071 93 K 4.0716 8.0352 120.9292 59.1811 31.9413 178.8894 94 S 4.1469 7.8225 114.0593 61.9387 62.7933 176.5702 95 Q 4.1065 7.8016 119.2729 58.4326 28.7716 177.3497 96 H 4.6589 8.1950 116.4740 57.0147 29.5734 176.8382 97 D 4.4342 8.6397 121.7898 57.0584 40.5811 177.2642 98 P 4.4046 0.0000 0.0000 65.0601 31.3520 177.4912 99 R 4.1722 7.9318 116.7272 55.6378 31.6664 176.3141 100 T 3.4592 7.4167 106.5768 62.5102 67.6974 171.0592 101 I 4.3500 7.2606 123.8545 59.9214 39.5250 175.4885 102 D 4.4490 8.6860 124.8160 53.5544 41.4202 174.9771 103 P 4.4658 0.0000 0.0000 65.5993 31.4748 178.4841 104 V 3.7222 8.3824 118.9569 66.1150 31.1919 177.4287 105 N 4.4669 8.8076 116.7716 56.5019 38.4750 177.1370 106 F 4.1016 8.5720 118.5639 59.6559 38.8544 177.8755 107 V 3.8184 8.2949 119.1371 65.7658 31.3758 177.8114 108 V 3.6513 7.9870 117.5878 66.1904 31.2061 177.1551 109 F 3.7391 8.4871 120.2912 61.4382 39.0552 176.6776 110 R 2.9580 7.9424 117.8117 59.5295 29.6092 178.0300 111 K 3.8517 8.2295 117.6159 59.5580 32.0015 178.7481 112 A 3.5203 8.4431 120.8832 55.1733 18.1642 179.4375 113 L 3.4530 8.1486 119.2392 58.1550 42.0800 178.9940 114 I 3.3573 7.6961 119.7276 64.6742 37.0720 177.6126 115 A 3.7523 7.9564 121.2019 55.7489 17.9544 179.4781 116 T 3.4704 7.8817 112.9497 66.6356 68.5245 177.1170 117 V 3.6794 8.0765 119.8142 65.8743 31.4675 177.9523 118 A 3.4716 7.1781 120.9162 54.8967 17.8617 179.7827 119 G 3.4873 8.1265 103.1865 47.8267 0.0000 175.1476 120 T 4.3058 7.2449 116.3740 65.3967 69.2872 176.6458 121 F 4.2851 8.8273 123.0952 60.3126 39.8826 174.4268 122 G 3.8709 8.3004 103.7836 43.7321 0.0000 174.8543 123 V 3.8080 8.3554 112.0213 63.8155 31.5280 177.7618 124 C 4.4117 8.2525 116.5068 61.5288 28.4036 173.6401 125 F 3.9630 8.4393 121.4674 59.1328 39.2512 175.5433 126 D 4.5501 8.1758 127.3587 52.3314 39.9330 176.5724 127 V 3.7092 8.1141 124.9098 65.2777 31.5930 175.3396 128 P 4.2403 0.0000 0.0000 66.0404 31.1497 177.9363 129 A 4.5756 8.9155 122.6367 53.8862 18.2053 179.7624 130 W 3.6707 8.2160 117.2331 59.9625 29.2107 178.7157 131 Q 4.3382 8.6204 118.3970 59.1289 28.0227 179.0807 132 G 3.6944 8.3818 108.2299 47.7601 0.0000 175.2094 133 C 4.3060 8.3451 119.6001 59.0395 40.0715 175.7156 134 Y 4.0045 8.6026 122.0066 60.7261 38.3153 177.7086 135 N 4.2485 8.3695 117.4992 56.3025 38.6119 177.2361 136 I 3.4270 7.3885 121.2433 64.4117 37.1007 178.5909 137 I 3.5239 7.1294 119.1952 64.1543 36.9588 178.0867 138 A 3.7142 7.5183 121.8231 54.9786 17.9916 179.2629 139 K 3.7611 8.5821 118.8391 59.8707 32.0409 178.9801 140 G 3.6624 7.6605 104.6058 47.9528 0.0000 174.9696 141 I 3.9828 7.6881 121.6807 62.7712 37.8788 176.4294 142 T 4.3939 7.9659 109.5959 66.2492 68.4603 177.6548 143 G 3.8788 6.9613 109.7940 47.0999 0.0000 175.0344 144 S 4.6376 7.2650 123.1808 58.0618 62.1611 174.7172 145 D 4.3047 8.2940 115.8885 54.9127 39.1178 176.7838 146 A 4.4932 9.3872 121.5958 51.9776 22.8892 176.2295 147 A 4.1757 7.9544 125.3050 52.8991 19.1883 176.5229 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 A 8.12 4.33 1.28 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 4 C 8.24 4.80 0.00 2.86 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 5 A 9.04 4.25 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 6 M 8.42 3.99 0.00 2.11 2.04 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 2.64 2.67 0.00 7 L 7.76 3.94 0.00 1.70 1.67 0.91 0.96 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 8 E 8.16 3.94 0.00 2.12 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 2.36 2.40 0.00 9 R 7.92 3.68 0.00 1.94 1.86 0.00 3.09 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.91 0.00 10 A 7.98 3.98 1.35 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 0.00 0.00 11 K 8.38 3.83 0.00 1.86 1.89 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.43 7.81 12 V 7.91 3.09 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 -0.48 0.00 0.00 0.54 0.00 0.00 13 K 8.41 3.98 0.00 1.95 1.90 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.63 7.81 14 D 8.18 4.51 0.00 3.00 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 15 E 8.45 3.97 0.00 2.24 1.57 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 1.67 2.36 0.00 16 W 8.91 4.62 0.00 3.76 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 17 A 8.63 4.13 1.50 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 18 K 7.92 3.82 0.00 2.03 2.43 0.00 1.72 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.52 7.81 19 A 8.28 4.08 1.30 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 0.00 0.00 0.00 20 Y 7.67 3.10 0.00 1.43 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 0.00 0.00 0.00 0.00 21 G 7.38 3.64 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 0.00 0.00 0.00 22 I 8.06 4.01 1.79 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 1.26 0.57 0.84 0.00 0.00 23 G 7.06 3.83 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 0.00 0.00 0.00 24 A 8.04 4.00 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 25 A 7.91 3.97 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 26 R 7.41 3.98 0.00 1.83 1.80 0.00 2.21 0.00 0.00 2.68 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.42 0.00 27 S 8.11 4.13 0.00 3.91 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 28 K 7.98 3.82 0.00 1.90 2.06 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.47 7.81 29 F 8.70 4.08 0.00 3.26 3.34 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 30 G 8.84 3.91 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 0.00 0.00 0.00 31 D 8.59 4.47 0.00 2.89 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 32 A 8.10 3.76 1.11 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 0.00 0.00 33 L 7.57 3.72 0.00 0.95 1.47 0.11 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 34 W 7.95 3.46 0.00 3.36 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 35 R 7.85 3.89 0.00 1.94 1.99 0.00 3.04 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 36 N 7.69 3.84 0.00 2.47 1.88 0.00 0.00 6.66 7.76 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 37 V 7.17 3.30 1.63 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 1.05 0.00 0.00 -0.06 0.00 0.00 38 F 8.14 4.92 0.00 3.13 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 39 N 7.71 4.66 0.00 2.88 2.96 0.00 0.00 7.00 8.11 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 40 Y 8.44 4.62 0.00 3.02 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 41 A 8.22 4.78 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 42 P 0.00 4.96 0.00 2.25 2.39 0.00 3.94 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.01 0.00 43 N 8.21 4.46 0.00 2.90 2.93 0.00 0.00 7.06 7.54 0.00 0.00 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 8.27 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.45 2.78 0.00 1.31 1.58 0.00 2.77 0.00 0.00 2.91 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.50 0.00 46 D 7.33 4.31 0.00 2.77 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 47 I 7.32 3.79 1.82 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.53 0.37 0.00 0.00 48 F 8.38 4.85 0.00 3.24 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 49 E 8.18 4.12 0.00 2.13 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 50 S 8.14 4.25 0.00 3.88 3.97 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 51 V 7.54 4.34 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 0.67 0.00 0.00 1.16 0.00 0.00 52 N 8.04 4.11 0.00 2.92 2.82 0.00 0.00 7.02 7.79 0.00 0.00 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 S 7.66 3.80 0.00 3.69 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 54 K 8.03 3.84 0.00 1.72 1.87 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.34 7.81 55 D 7.35 4.64 0.00 2.73 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.45 3.90 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.72 0.00 57 A 8.08 4.76 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 58 S 8.36 4.37 0.00 4.25 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 0.00 59 P 0.00 4.24 0.00 2.30 2.39 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 60 E 8.30 3.96 0.00 2.15 2.13 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 2.44 2.48 0.00 61 F 8.34 4.27 0.00 3.37 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 62 K 8.54 3.91 0.00 1.97 1.85 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.53 7.81 63 A 8.41 3.98 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 64 H 7.70 3.98 0.00 3.06 2.96 0.00 5.82 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 65 I 7.35 3.26 1.84 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 0.19 -0.36 1.05 0.00 0.00 66 A 8.21 4.08 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 67 R 7.96 3.91 0.00 2.05 2.02 0.00 3.17 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 68 V 8.00 3.72 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 1.16 0.00 0.00 1.25 0.00 0.00 69 L 8.63 4.28 0.00 2.05 1.89 1.32 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.59 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 71 G 8.43 3.60 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 0.00 0.00 0.00 72 L 8.34 3.80 0.00 1.86 1.26 1.16 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.54 4.05 0.00 3.00 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 74 R 8.03 4.05 0.00 2.01 2.11 0.00 3.16 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.71 0.00 75 V 7.89 3.65 2.12 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 0.91 0.00 0.00 0.92 0.00 0.00 76 I 7.49 3.48 1.49 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.21 0.67 0.00 0.00 77 S 8.17 4.25 0.00 4.03 4.13 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 78 M 7.73 4.38 0.00 2.02 2.25 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 2.54 2.79 0.00 79 L 7.94 4.02 0.00 1.57 1.65 0.73 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 80 D 7.74 4.85 0.00 2.75 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 81 N 8.13 4.88 0.00 2.74 2.76 0.00 0.00 7.21 7.47 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 82 Q 8.58 3.91 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.48 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 83 A 8.21 3.69 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 84 T 7.75 3.80 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 1.19 0.00 0.00 85 L 7.92 3.83 0.00 1.95 1.87 0.88 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.56 4.27 0.00 2.86 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 87 A 7.60 3.93 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 88 D 8.48 4.25 0.00 2.84 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 3.91 0.00 1.84 1.63 0.87 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.41 3.94 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 91 H 8.36 4.05 0.00 3.34 3.55 0.00 5.80 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 92 L 8.16 4.04 0.00 1.89 1.73 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.04 4.07 0.00 2.00 1.96 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.65 1.51 7.81 94 S 7.82 4.15 0.00 4.04 3.89 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 95 Q 7.80 4.11 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 96 H 8.20 4.66 0.00 3.26 3.44 0.00 5.84 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.64 4.43 0.00 2.73 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 98 P 0.00 4.40 0.00 2.21 2.18 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 99 R 7.93 4.17 0.00 1.97 2.00 0.00 3.33 0.00 0.00 3.22 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 100 T 7.42 3.46 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 1.27 0.00 0.00 101 I 7.26 4.35 2.08 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.68 1.06 0.00 0.00 102 D 8.69 4.45 0.00 2.76 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.47 0.00 2.28 2.30 0.00 3.81 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.99 0.00 104 V 8.38 3.72 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 1.19 0.00 0.00 1.11 0.00 0.00 105 N 8.81 4.47 0.00 3.11 2.99 0.00 0.00 6.98 7.70 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 0.00 106 F 8.57 4.10 0.00 3.44 3.30 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 0.00 107 V 8.29 3.82 2.40 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 1.15 0.00 0.00 1.07 0.00 0.00 108 V 7.99 3.65 2.42 0.00 0.00 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 1.05 0.00 0.00 109 F 8.49 3.74 0.00 3.14 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 0.00 110 R 7.94 2.96 0.00 1.49 2.04 0.00 3.31 0.00 0.00 3.64 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.11 0.00 111 K 8.23 3.85 0.00 2.12 1.88 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.75 1.61 7.81 112 A 8.44 3.52 0.76 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 0.00 0.00 113 L 8.15 3.45 0.00 1.32 1.55 1.06 0.54 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 0.00 114 I 7.70 3.36 1.99 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.74 0.81 0.00 0.00 115 A 7.96 3.75 1.23 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 0.00 0.00 116 T 7.88 3.47 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 0.17 0.00 0.00 117 V 8.08 3.68 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 0.75 0.00 0.00 1.05 0.00 0.00 118 A 7.18 3.47 0.43 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 0.00 0.00 119 G 8.13 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 0.00 120 T 7.24 4.31 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 121 F 8.83 4.29 0.00 3.09 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 0.00 122 G 8.30 3.87 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 0.00 0.00 0.00 123 V 8.36 3.81 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 0.76 0.00 0.00 0.97 0.00 0.00 124 C 8.25 4.41 0.00 3.71 3.29 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 0.00 125 F 8.44 3.96 0.00 3.17 3.09 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 0.00 126 D 8.18 4.55 0.00 2.68 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 0.00 127 V 8.11 3.71 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 1.23 0.00 0.00 1.22 0.00 0.00 128 P 0.00 4.24 0.00 2.31 2.32 0.00 3.73 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.05 0.00 129 A 8.92 4.58 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 0.00 130 W 8.22 3.67 0.00 3.48 3.45 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 0.00 0.00 0.00 0.00 131 Q 8.62 4.34 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.52 2.82 0.00 132 G 8.38 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 0.00 0.00 0.00 0.00 133 C 8.35 4.31 0.00 2.73 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 0.00 134 Y 8.60 4.00 0.00 3.31 3.34 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 0.00 135 N 8.37 4.25 0.00 3.05 3.18 0.00 0.00 7.02 7.43 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 0.00 136 I 7.39 3.43 1.90 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 1.62 0.88 0.82 0.00 0.00 137 I 7.13 3.52 1.67 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 1.30 0.60 0.75 0.00 0.00 138 A 7.52 3.71 1.12 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 0.00 0.00 139 K 8.58 3.76 0.00 1.80 1.96 0.00 1.47 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.44 7.81 140 G 7.66 3.66 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 0.00 141 I 7.69 3.98 1.52 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 1.48 1.19 0.67 0.00 0.00 142 T 7.97 4.39 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 0.38 0.00 0.00 143 G 6.96 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 0.00 0.00 0.00 144 S 7.27 4.64 0.00 3.91 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 0.00 145 D 8.29 4.30 0.00 2.84 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 0.00 146 A 9.39 4.49 1.23 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 0.00 0.00 147 A 7.95 4.18 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