NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4817 8.3193 115.4115 57.2005 64.3784 173.0120 2 I 3.0607 7.7605 115.4319 64.4896 38.1431 176.1397 3 Q 3.8402 9.1026 123.3239 56.2025 29.2572 175.2976 4 A 4.5349 7.7398 118.6580 51.3189 26.3000 179.2176 5 E 6.3000 7.1179 123.4723 57.2985 31.1399 177.8140 6 E 4.4984 8.0626 119.4934 58.7217 30.9909 177.0990 7 W 5.5376 7.0675 112.2206 55.5835 30.1632 173.8738 8 Y 5.1012 7.2766 121.9129 56.9351 41.0602 174.7873 9 F 4.0495 10.0711 125.1144 57.2191 41.3005 175.3277 10 G 4.4639 6.8395 106.6843 44.8021 0.0000 175.2639 11 K 4.6108 8.4989 120.6357 54.2668 30.8111 174.2852 12 L 4.6449 7.7114 122.5948 53.2014 45.2218 175.1286 13 G 4.3781 8.0064 109.9479 44.1963 0.0000 173.6291 14 R 4.1277 8.2811 116.2086 57.5780 30.1624 178.6195 15 K 3.9370 7.8119 119.8757 59.2714 32.2875 178.0790 16 D 4.2708 7.9969 117.5379 56.9955 41.4653 177.5024 17 A 3.8148 7.6813 121.3241 55.4981 18.3211 179.5611 18 E 3.9902 8.0454 115.6161 60.1475 29.7193 178.1504 19 R 4.0588 8.0808 120.3038 57.3348 29.7718 178.0168 20 Q 4.0472 8.5431 117.1152 59.3283 29.0918 179.8518 21 L 4.1255 7.5134 117.9732 57.8371 41.8276 178.8508 22 L 4.6306 7.6235 115.3148 54.7817 41.6326 177.2441 23 S 4.7925 8.0627 113.5463 58.2587 64.5714 174.4582 24 F 5.0282 8.4890 124.6321 57.9613 40.9528 176.3867 25 G 3.8818 8.4988 106.7372 45.0080 0.0000 172.7770 26 N 4.5716 7.4703 116.4710 51.2809 39.6983 173.2832 27 P 4.4568 0.0000 0.0000 61.4467 32.2491 175.5267 28 R 4.0532 8.3734 115.6279 57.4266 29.2537 177.2937 29 G 4.2181 8.8448 103.8675 46.2774 0.0000 173.7404 30 T 4.5872 7.0534 118.1088 62.7159 67.7803 172.7923 31 F 5.0586 8.9051 123.2729 56.6582 38.7594 174.5156 32 L 4.6298 8.9190 126.2400 54.7457 43.8755 174.9045 33 I 5.8921 8.5863 122.4780 58.3230 41.7969 174.6345 34 R 5.5750 8.1114 118.7805 55.9928 31.5134 173.4027 35 E 4.3205 8.9865 120.7616 56.5365 30.1467 176.8600 36 S 4.2918 8.8380 121.4524 58.2527 63.9527 174.5379 37 E 4.5113 8.7097 123.5866 56.7487 29.5001 177.1809 38 T 4.0164 7.5395 114.9901 64.1927 67.6570 174.0471 39 T 4.6826 7.3319 113.8867 59.6354 70.0123 172.8024 40 K 3.9442 8.6511 120.0232 57.8889 32.2901 177.4407 41 G 4.9895 7.2633 120.7543 46.3009 0.0000 171.6060 42 A 4.4519 6.9182 125.3843 52.0606 22.7235 174.9806 43 Y 5.4678 8.0544 112.2184 57.6773 42.2124 174.8198 44 S 5.1007 8.8710 113.1790 58.6722 68.4775 174.6224 45 L 5.5860 8.6076 122.5795 53.5055 42.1994 175.6623 46 S 4.9510 9.2474 120.1406 58.3165 65.0030 173.2241 47 I 4.6639 8.2268 114.5840 59.4463 41.0458 173.9020 48 R 4.5801 8.4101 127.5335 55.1263 31.0498 175.7884 49 D 5.2828 8.0786 126.6541 52.8294 40.0948 174.2639 50 W 4.4078 8.2472 128.6661 57.9730 32.1656 173.5319 51 D 3.6064 6.0500 118.9084 52.1820 43.6233 174.1415 52 D 4.7421 7.3633 121.1164 53.4161 39.9012 177.0818 53 M 4.5662 6.4326 114.8598 54.2115 31.4942 174.4955 54 K 4.2201 8.0653 126.8010 57.9105 34.9245 172.4970 55 G 3.7583 7.0422 104.1337 43.9512 0.0000 172.4334 56 D 5.2168 8.5228 118.6187 53.4109 41.1436 174.2586 57 H 4.8446 8.1853 115.0635 56.0212 33.5996 172.9024 58 V 4.5554 8.1197 117.8031 62.8356 34.0842 173.2906 59 K 4.5117 8.3675 129.1518 56.1386 35.1201 174.8635 60 H 5.1770 8.1210 114.9929 55.7517 33.1429 173.8551 61 Y 4.4523 8.6132 119.1793 55.2971 39.7875 173.8425 62 K 4.0711 8.7327 124.3030 57.2740 32.9782 175.4980 63 I 4.3217 8.7061 128.5828 60.4891 39.1615 175.2560 64 R 4.9114 7.9586 124.1779 54.1645 34.5789 173.8870 65 K 5.3299 8.3457 123.0447 53.9445 34.2548 175.4044 66 L 4.4076 8.5079 127.3963 54.0922 42.5809 177.6444 67 D 4.4703 8.5846 122.4944 56.7011 41.0319 177.0196 68 N 4.6663 8.0872 114.8598 54.1196 39.6962 175.2094 69 G 4.3781 8.1606 107.2860 45.1683 0.0000 174.0290 70 G 4.8306 8.5612 111.7930 47.1298 0.0000 176.4029 71 Y 5.4937 9.1506 124.3673 55.7140 42.4368 173.2948 72 Y 5.1751 7.9137 115.3524 57.4081 40.8859 174.8829 73 I 3.9732 8.4155 126.1164 63.0897 38.0956 176.1996 74 T 4.9227 7.7849 113.6124 60.1154 70.2066 174.1981 75 T 4.0229 8.8478 116.6530 63.4189 68.7757 174.9243 76 R 4.1350 8.1127 120.5421 56.9805 30.4832 176.7169 77 A 4.2145 8.0563 120.7366 51.9504 20.0910 175.5120 78 Q 5.2083 8.1940 120.3170 55.7003 32.0451 174.6566 79 F 4.4313 9.0796 115.6532 57.2529 42.0207 174.5301 80 E 4.4753 9.1031 117.6088 58.3994 31.3014 174.8971 81 T 4.2181 7.2545 111.7480 59.7544 70.5640 173.3759 82 L 3.4615 7.5699 120.6267 57.3338 41.4630 179.4174 83 Q 3.8934 7.8923 118.1450 58.7951 28.7107 178.5815 84 Q 3.9652 7.7521 119.0173 58.5957 28.8383 178.2848 85 L 2.8038 7.3205 120.2591 58.0102 40.6174 179.4784 86 V 3.0020 7.0320 112.7043 63.1003 31.0968 178.2587 87 Q 3.8241 7.2589 119.7624 59.2555 29.0623 177.3718 88 H 4.1214 7.6895 118.7717 59.2984 29.8281 176.8332 89 Y 4.5337 8.4370 120.1792 60.1365 37.3298 178.2471 90 S 4.0094 7.5609 113.4939 61.0473 62.6744 175.2316 91 E 4.3248 7.4235 117.4460 56.2166 30.1376 176.3408 92 R 4.5581 7.0668 116.9555 54.3505 34.2241 176.0478 93 A 3.7262 8.5730 122.4076 52.9103 18.5500 179.5697 94 A 3.3752 7.4144 116.4328 51.1190 16.5079 178.3266 95 G 4.0169 7.1126 101.3877 45.1676 0.0000 174.6918 96 L 4.2473 7.2369 120.7409 54.8326 42.4708 176.8886 97 S 4.3353 8.5105 112.0779 60.2686 62.3509 175.3697 98 S 4.7512 6.9511 112.0290 58.8993 69.4050 177.1743 99 R 4.8434 8.1401 119.5661 55.8331 29.6677 173.5890 100 L 4.3589 7.6066 122.4617 54.3465 43.0003 175.5146 101 V 4.2319 8.9379 116.3507 61.9583 31.2902 176.0751 102 V 3.8354 8.6299 124.2366 62.4586 32.0924 174.0070 103 P 4.5011 0.0000 0.0000 65.1523 32.0619 177.4948 104 S 4.8347 7.7260 113.1993 56.6108 62.8505 173.8873 105 H 4.1512 8.5410 117.3882 59.4994 28.5678 175.1771 106 K 3.7608 7.5985 123.8281 56.5477 31.7908 175.6169 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 S 8.32 4.48 0.00 3.99 3.99 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 2 I 7.76 3.06 1.90 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 -0.17 0.76 0.00 0.00 3 Q 9.10 3.84 0.00 2.18 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.13 0.00 0.00 0.00 0.00 0.00 1.93 2.31 0.00 4 A 7.74 4.53 1.16 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 0.00 0.00 5 E 7.12 6.30 0.00 1.64 1.67 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 1.88 1.79 0.00 6 E 8.06 4.50 0.00 1.98 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 0.00 2.17 2.23 0.00 7 W 7.07 5.54 0.00 3.55 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 8 Y 7.28 5.10 0.00 2.97 1.43 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 9 F 10.07 4.05 0.00 2.65 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 10 G 6.84 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 0.00 0.00 0.00 0.00 11 K 8.50 4.61 0.00 1.75 1.76 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.46 7.81 12 L 7.71 4.64 0.00 1.60 1.55 0.99 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.01 4.38 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 0.00 14 R 8.28 4.13 0.00 1.79 1.64 0.00 3.14 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 15 K 7.81 3.94 0.00 1.81 1.79 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.48 7.81 16 D 8.00 4.27 0.00 2.75 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 17 A 7.68 3.81 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 18 E 8.05 3.99 0.00 2.24 2.29 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 2.32 2.53 0.00 19 R 8.08 4.06 0.00 2.08 1.84 0.00 3.33 0.00 0.00 3.19 8.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 20 Q 8.54 4.05 0.00 2.24 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.57 0.00 0.00 0.00 0.00 0.00 2.52 2.81 0.00 21 L 7.51 4.13 0.00 1.92 1.74 0.78 0.98 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 22 L 7.62 4.63 0.00 1.67 1.90 1.08 0.86 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 23 S 8.06 4.79 0.00 3.98 3.86 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 24 F 8.49 5.03 0.00 3.00 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 25 G 8.50 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 26 N 7.47 4.57 0.00 2.82 2.82 0.00 0.00 6.39 7.95 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 27 P 0.00 4.46 0.00 2.19 2.00 0.00 3.82 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 2.02 1.94 0.00 28 R 8.37 4.05 0.00 2.10 2.36 0.00 3.14 0.00 0.00 3.51 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.77 0.00 29 G 8.84 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 0.00 0.00 0.00 30 T 7.05 4.59 4.26 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 1.36 0.00 0.00 31 F 8.91 5.06 0.00 3.16 3.19 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 32 L 8.92 4.63 0.00 1.29 1.29 -0.66 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.59 5.89 2.42 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 1.19 1.77 1.15 0.00 0.00 34 R 8.11 5.57 0.00 2.14 2.04 0.00 3.28 0.00 0.00 3.21 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.39 0.00 35 E 8.99 4.32 0.00 1.81 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 1.73 1.87 0.00 36 S 8.84 4.29 0.00 3.79 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 E 8.71 4.51 0.00 1.94 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 0.00 2.26 2.22 0.00 38 T 7.54 4.02 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 1.21 0.00 0.00 39 T 7.33 4.68 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 1.23 0.00 0.00 40 K 8.65 3.94 0.00 1.77 1.89 0.00 1.96 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.48 7.81 41 G 7.26 4.99 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 0.00 0.00 0.00 42 A 6.92 4.45 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 43 Y 8.05 5.47 0.00 3.15 2.98 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 0.00 0.00 0.00 44 S 8.87 5.10 0.00 4.01 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 45 L 8.61 5.59 0.00 1.83 1.70 1.21 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 9.25 4.95 0.00 3.74 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 47 I 8.23 4.66 0.56 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 0.98 0.53 1.20 0.00 0.00 48 R 8.41 4.58 0.00 1.88 1.84 0.00 3.34 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.91 0.00 49 D 8.08 5.28 0.00 2.60 2.50 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 50 W 8.25 4.41 0.00 3.29 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 51 D 6.05 3.61 0.00 2.26 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 0.00 0.00 0.00 52 D 7.36 4.74 0.00 3.00 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 53 M 6.43 4.57 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 54 K 8.07 4.22 0.00 1.77 1.80 0.00 1.36 0.00 0.00 1.61 0.00 0.00 2.72 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.88 0.87 7.81 55 G 7.04 3.76 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 0.00 56 D 8.52 5.22 0.00 2.91 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 57 H 8.19 4.84 0.00 3.07 3.17 0.00 5.68 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.12 4.56 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 0.53 0.00 0.00 0.91 0.00 0.00 59 K 8.37 4.51 0.00 1.66 1.58 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.33 7.81 60 H 8.12 5.18 0.00 2.95 3.17 0.00 5.64 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.61 4.45 0.00 3.22 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 62 K 8.73 4.07 0.00 1.79 1.80 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.47 7.81 63 I 8.71 4.32 2.15 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.03 1.10 0.00 0.00 64 R 7.96 4.91 0.00 1.21 1.80 0.00 3.11 0.00 0.00 3.04 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 65 K 8.35 5.33 0.00 0.79 1.11 0.00 1.55 0.00 0.00 2.03 0.00 0.00 2.76 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.11 1.00 7.81 66 L 8.51 4.41 0.00 1.66 1.50 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.58 4.47 0.00 2.66 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 68 N 8.09 4.67 0.00 2.67 2.83 0.00 0.00 6.63 7.63 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 69 G 8.16 4.38 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 0.00 70 G 8.56 4.83 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 71 Y 9.15 5.49 0.00 2.98 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 72 Y 7.91 5.18 0.00 3.49 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 73 I 8.42 3.97 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 1.45 0.48 0.99 0.00 0.00 74 T 7.78 4.92 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 1.30 0.00 0.00 75 T 8.85 4.02 4.16 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 1.21 0.00 0.00 76 R 8.11 4.14 0.00 1.86 2.02 0.00 3.24 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 77 A 8.06 4.21 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 78 Q 8.19 5.21 0.00 2.02 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 5.93 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 79 F 9.08 4.43 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 80 E 9.10 4.48 0.00 2.13 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 2.28 2.26 0.00 81 T 7.25 4.22 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 1.25 0.00 0.00 82 L 7.57 3.46 0.00 1.34 1.34 0.09 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 7.89 3.89 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.87 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 84 Q 7.75 3.97 0.00 2.20 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 85 L 7.32 2.80 0.00 0.90 1.60 -0.72 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.03 3.00 0.67 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 -1.52 0.00 0.00 0.52 0.00 0.00 87 Q 7.26 3.82 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 88 H 7.69 4.12 0.00 3.30 2.99 0.00 5.83 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 8.44 4.53 0.00 2.70 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 90 S 7.56 4.01 0.00 4.02 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 91 E 7.42 4.32 0.00 2.01 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 2.26 2.44 0.00 92 R 7.07 4.56 0.00 1.79 1.66 0.00 2.85 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 93 A 8.57 3.73 1.16 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 0.00 0.00 94 A 7.41 3.38 -0.59 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 0.00 0.00 95 G 7.11 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 0.00 0.00 0.00 0.00 96 L 7.24 4.25 0.00 0.27 1.00 0.83 0.43 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 97 S 8.51 4.34 0.00 4.35 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 0.00 98 S 6.95 4.75 0.00 4.40 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 99 R 8.14 4.84 0.00 1.60 1.82 0.00 3.26 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.48 0.00 100 L 7.61 4.36 0.00 1.66 1.45 0.88 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.94 4.23 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 1.11 0.00 0.00 102 V 8.63 3.84 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 1.06 0.00 0.00 1.13 0.00 0.00 103 P 0.00 4.50 0.00 2.27 2.22 0.00 3.86 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 104 S 7.73 4.83 0.00 4.00 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 0.00 105 H 8.54 4.15 0.00 3.31 3.58 0.00 5.59 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 K 7.60 3.76 0.00 1.56 1.69 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.34 7.81