NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.5286 8.3044 120.2866 55.2921 33.8592 173.9435 3 V 4.2066 8.0749 121.7975 59.9072 33.7247 172.8607 4 W 4.5990 9.1351 135.0000 57.4215 31.6009 174.9037 5 T 4.1622 8.1779 124.0543 61.5053 67.0053 172.5780 6 P 4.5372 0.0000 0.0000 63.2079 32.2835 175.5987 7 V 4.0702 7.3960 119.6758 62.6243 32.6922 175.2694 8 N 4.2827 8.6566 125.4174 55.0246 36.0532 173.4479 9 N 5.0323 7.6376 108.8670 52.8862 40.1136 174.1895 10 K 4.0837 8.2317 116.1653 56.5569 32.7200 176.6196 11 M 4.9865 8.3643 121.1586 53.9551 35.0735 175.3158 12 F 4.5835 8.3220 116.8877 57.2777 41.1014 176.5924 13 E 3.5212 8.4288 121.1571 56.9451 27.7541 174.7866 14 T 3.8211 8.3908 120.4798 66.6521 69.0268 174.2320 15 F 4.4917 8.9775 123.6662 57.6881 36.7730 176.5117 16 S 4.4657 8.2765 114.9093 60.4961 62.9914 174.5065 17 Y 4.4288 8.3171 117.3169 58.0992 38.0819 174.9092 18 L 4.7435 7.5483 119.9286 51.9951 43.9042 174.4606 19 P 4.4428 0.0000 0.0000 61.9331 31.7756 175.0815 20 P 4.3770 0.0000 0.0000 62.6162 31.8439 176.4677 21 L 4.0323 8.2669 122.2310 54.7225 42.2412 178.0043 22 T 4.2595 8.1689 113.8449 61.1610 71.1804 175.4300 23 D 4.3298 8.5141 120.9359 57.5316 40.8798 178.7325 24 E 3.9378 8.0839 119.4129 59.2121 29.6923 178.7500 25 Q 3.9349 7.9348 118.1369 58.6631 28.7715 178.4969 26 I 3.6955 8.0402 120.9350 64.4602 37.1889 178.2377 27 A 4.0441 8.2499 121.3996 55.2366 18.2601 179.5667 28 A 3.9729 7.9825 118.9737 55.3849 18.4147 179.9160 29 Q 4.0995 8.1381 116.6945 59.0848 28.7883 179.1255 30 V 3.7404 8.1796 119.3776 66.1645 31.5952 177.6730 31 D 4.4305 8.4129 118.7624 57.6324 40.5128 178.3301 32 Y 4.1596 8.0377 119.5432 60.6853 38.8380 177.9260 33 I 3.9269 7.9974 120.8144 64.6276 37.3109 178.6364 34 V 3.5186 7.9769 118.6126 65.9577 31.1852 177.8025 35 A 3.9246 8.1369 119.7041 54.6524 18.2206 178.3337 36 N 4.1194 7.0935 111.8874 51.9178 38.7604 175.5286 37 G 3.7700 7.3407 108.2450 46.2158 0.0000 174.1690 38 W 4.9632 7.5918 119.0156 55.9829 30.8336 176.2563 39 I 4.4118 8.9253 122.8979 59.4401 37.8518 174.1397 40 P 4.8984 0.0000 0.0000 62.9492 32.7880 175.1662 41 C 5.0191 8.8746 121.0701 58.4667 35.5801 172.4563 42 L 5.3490 8.7369 123.6410 53.1992 44.5544 175.2069 43 E 5.6345 9.2016 121.0247 54.8917 34.0634 174.6238 44 F 5.6319 9.1640 116.2806 55.9060 42.2276 173.0334 45 A 4.5317 8.3632 120.0766 50.2469 22.6156 176.2827 46 E 4.3013 8.6374 118.7777 55.7435 30.7155 177.7152 47 A 4.2888 8.8208 122.8505 55.8457 18.4157 179.7648 48 D 4.5314 8.1715 113.2122 56.3485 41.0326 177.1591 49 K 4.5855 7.9742 117.2631 56.0268 32.5841 176.8025 50 A 3.8226 7.6542 124.4849 53.7688 18.9188 178.1877 51 Y 4.6757 7.4459 111.4104 55.5524 40.2419 175.7464 52 V 3.8037 8.3853 122.3907 63.8747 31.9383 175.2315 53 S 4.7903 9.0913 119.8831 56.6374 66.4159 173.7374 54 N 5.1933 8.5513 114.3298 52.6802 39.1183 176.1149 55 E 3.9681 8.2519 121.1410 59.8745 29.5032 179.1659 56 S 4.0395 8.8524 115.3526 60.4279 62.8917 175.8673 57 A 2.5800 7.5923 123.1332 53.1553 17.7706 178.9898 58 I 3.5624 6.9488 117.0306 63.7108 38.0526 177.1905 59 R 4.2361 7.4758 116.4348 56.0245 30.4587 176.4217 60 F 5.0256 7.1732 117.9519 56.2139 41.2049 176.8859 61 G 4.0857 8.2067 117.7546 46.4457 0.0000 175.9854 62 S 4.6376 8.4408 114.5978 58.6517 62.2350 174.5229 63 V 4.4369 7.3226 107.5462 61.1326 33.1887 177.7072 64 S 4.4770 8.1974 115.5534 59.7387 63.5137 173.5192 65 C 3.9786 8.1278 118.8143 61.6383 27.9628 173.1543 66 L 3.6037 8.4594 122.6568 55.5561 39.0473 173.1324 67 Y 4.3812 7.8024 119.6390 56.1129 39.8299 174.6166 68 Y 4.8903 7.1834 123.2095 56.3626 42.3057 174.6389 69 D 4.4957 8.8803 123.4076 55.3675 41.7627 177.1264 70 N 4.8595 8.9399 117.5270 53.8954 35.9370 175.9651 71 R 3.9473 7.9068 118.5130 59.3219 30.3565 177.1414 72 Y 4.3745 7.6913 114.7347 57.9132 38.3887 175.1932 73 W 5.0748 8.6876 124.4866 55.4992 32.5586 174.6095 74 T 4.3547 8.1241 116.9370 62.6109 69.7378 174.4531 75 M 4.6657 8.4631 126.1916 55.1798 33.1412 175.2035 76 W 4.7616 9.5229 135.0000 56.5640 31.3623 176.8130 77 K 3.3753 8.4827 128.3621 57.5959 30.9247 177.6507 78 L 4.9243 8.2271 125.3235 52.6463 45.0300 173.9962 79 P 4.3660 0.0000 0.0000 63.3150 32.2804 177.5526 80 M 4.2989 8.4654 123.1797 53.8101 30.4456 175.7544 81 F 4.4888 7.3935 118.6232 58.7353 40.0453 176.5416 82 G 3.9734 9.1257 112.6196 45.5646 0.0000 172.9441 83 C 4.2829 7.8788 120.4740 59.5420 31.6705 173.1825 84 R 4.5273 8.6761 124.3425 55.5869 30.8504 174.6236 85 D 4.8324 7.7563 118.3938 51.4729 42.8516 174.4940 86 P 4.3233 0.0000 0.0000 66.0195 31.2610 178.5037 87 M 4.1119 8.1736 117.0638 58.2985 31.8412 178.5413 88 Q 3.9643 7.9414 119.7880 59.0855 29.2518 178.5569 89 V 3.5987 7.7431 118.6971 66.1387 31.8234 177.7932 90 L 4.0442 8.0361 118.6670 57.9810 41.4246 179.8387 91 R 3.9984 8.3275 118.1781 59.2022 29.9480 178.9531 92 E 4.1469 8.2990 118.4896 59.1370 29.4451 179.2821 93 I 3.5060 7.7905 120.0451 64.2649 37.2148 178.3687 94 V 3.4716 7.5886 118.4168 66.0040 31.3631 177.8047 95 A 3.9324 7.9471 120.2332 55.2350 18.2550 179.0248 96 C 2.0000 7.6365 117.5660 62.1387 31.1493 175.9836 97 T 3.7075 7.5304 111.1288 64.3961 67.8881 176.2943 98 K 3.8129 7.6762 121.6741 59.3745 32.3475 178.4575 99 A 3.9594 7.6186 119.7510 53.5161 19.8250 177.6695 100 F 4.7469 7.7332 115.5690 55.1348 38.9684 174.1802 101 P 4.4317 0.0000 0.0000 64.2979 31.8930 177.9007 102 D 4.6737 8.0801 116.7264 53.8579 41.1670 175.4068 103 A 4.7454 7.3411 120.8041 50.2961 21.3227 177.1901 104 Y 4.1894 8.4147 117.7303 57.9858 39.3597 175.3645 105 V 5.2081 8.9900 122.9550 61.1934 35.3186 174.2689 106 R 5.0309 9.6518 123.7953 54.2771 33.0607 173.7939 107 L 4.8776 8.1448 123.2759 53.7937 43.9487 175.6840 108 V 4.8306 8.6584 118.3496 59.5565 36.4180 174.1222 109 A 4.8832 8.0752 121.4466 50.5928 22.8577 175.2670 110 F 5.2384 9.1142 119.6255 55.7124 42.7465 174.0821 111 D 5.4233 8.7744 122.2580 52.7239 42.5088 176.5692 112 N 4.7591 9.1798 122.8608 54.1104 38.4077 176.2595 113 Q 4.2168 8.8222 118.9349 58.8154 29.1077 177.6070 114 K 4.0131 8.3195 114.9953 57.1577 32.9475 176.6056 115 Q 3.4611 8.0668 118.4389 55.9824 27.0628 172.5836 116 V 4.5115 7.7437 117.2142 60.0328 35.0375 174.1894 117 Q 4.3742 8.7292 123.2289 56.4893 29.2442 175.5139 118 I 4.1627 8.1621 125.4461 61.4087 39.6251 174.6348 119 M 4.6615 6.7771 117.4855 54.3960 34.3937 173.7928 120 G 4.7680 8.2756 105.8785 47.1889 0.0000 172.3527 121 F 4.9737 7.0631 115.1522 55.3861 40.9590 172.7568 122 L 4.5099 8.8900 122.9160 55.5604 42.0299 176.7808 123 V 4.5167 8.8454 118.2804 61.5166 34.0545 175.6938 124 Q 4.6283 7.8196 121.1935 54.4612 32.4098 173.2177 125 R 4.3750 8.1389 121.7443 52.9205 32.7002 173.5953 126 P 4.1782 0.0000 0.0000 62.8379 31.6819 177.6187 127 K 4.1031 8.4391 119.8899 59.1602 32.1661 178.1422 128 T 4.1266 7.7671 106.9200 62.2200 69.3804 174.7777 129 A 4.2172 7.7986 126.6035 52.9987 18.5900 177.3684 130 R 4.6335 8.8623 120.8766 55.9952 31.3184 175.6817 131 D 4.9275 8.4982 116.3271 52.7508 39.7010 175.2240 132 F 5.4354 7.8899 113.3135 55.3922 41.0602 173.7890 133 Q 4.4068 8.3516 119.2423 52.9345 31.6823 174.2202 134 P 4.5014 0.0000 0.0000 62.2912 31.9160 176.9493 135 A 3.9360 8.8236 123.0224 55.5641 18.2254 179.2624 136 N 4.5555 8.0694 110.2797 54.1812 37.8585 175.6411 137 K 4.4278 7.9161 117.6739 56.2682 32.8436 177.3624 138 R 3.5863 7.6056 120.5299 57.7717 30.1248 176.6721 139 S 5.0814 7.4588 110.1436 56.2734 66.0172 174.2475 140 V 3.9801 8.5480 114.4788 61.7159 32.0658 175.6909 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 2 M 8.30 4.53 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 3 V 8.07 4.21 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 1.07 0.00 0.00 0.97 0.00 0.00 4 W 9.14 4.60 0.00 3.50 3.04 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 0.00 0.00 0.00 0.00 5 T 8.18 4.16 4.07 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 0.99 0.00 0.00 6 P 0.00 4.54 0.00 2.23 2.19 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 7 V 7.40 4.07 2.03 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 0.77 0.00 0.00 0.91 0.00 0.00 8 N 8.66 4.28 0.00 2.91 2.87 0.00 0.00 6.82 8.00 0.00 0.00 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 N 7.64 5.03 0.00 2.65 2.70 0.00 0.00 7.29 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 10 K 8.23 4.08 0.00 1.97 1.58 0.00 1.03 0.00 0.00 0.61 0.00 0.00 2.49 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.23 1.26 7.81 11 M 8.36 4.99 0.00 2.11 2.13 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 2.47 2.66 0.00 12 F 8.32 4.58 0.00 3.12 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 13 E 8.43 3.52 0.00 2.14 1.76 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 2.20 2.13 0.00 14 T 8.39 3.82 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 0.15 0.00 0.00 15 F 8.98 4.49 0.00 3.31 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 16 S 8.28 4.47 0.00 4.15 4.23 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 Y 8.32 4.43 0.00 3.01 3.18 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 0.00 0.00 0.00 18 L 7.55 4.74 0.00 1.86 1.61 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.44 0.00 2.03 2.00 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 20 P 0.00 4.38 0.00 2.05 2.01 0.00 3.70 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 2.07 2.17 0.00 21 L 8.27 4.03 0.00 1.60 1.50 0.29 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.17 4.26 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 1.18 0.00 0.00 23 D 8.51 4.33 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 24 E 8.08 3.94 0.00 2.02 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 2.35 2.38 0.00 25 Q 7.93 3.93 0.00 2.31 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 26 I 8.04 3.70 2.06 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 1.67 0.83 1.08 0.00 0.00 27 A 8.25 4.04 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 28 A 7.98 3.97 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 29 Q 8.14 4.10 0.00 2.48 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.36 1.88 0.00 30 V 8.18 3.74 2.31 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 1.15 0.00 0.00 1.11 0.00 0.00 31 D 8.41 4.43 0.00 3.00 2.77 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 32 Y 8.04 4.16 0.00 3.24 3.35 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 33 I 8.00 3.93 2.17 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.88 1.08 0.00 0.00 34 V 7.98 3.52 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 1.02 0.00 0.00 1.01 0.00 0.00 35 A 8.14 3.92 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 36 N 7.09 4.12 0.00 1.44 1.42 0.00 0.00 7.02 8.83 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 37 G 7.34 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 0.00 0.00 0.00 38 W 7.59 4.96 0.00 3.37 3.08 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 0.00 0.00 0.00 0.00 39 I 8.93 4.41 2.13 0.00 0.00 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 1.47 0.90 0.74 0.00 0.00 40 P 0.00 4.90 0.00 2.09 1.99 0.00 3.81 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 2.15 2.14 0.00 41 C 8.87 5.02 0.00 3.11 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 42 L 8.74 5.35 0.00 1.86 1.64 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.20 5.63 0.00 2.03 2.05 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 2.36 2.33 0.00 44 F 9.16 5.63 0.00 3.05 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 45 A 8.36 4.53 -0.09 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 0.00 0.00 46 E 8.64 4.30 0.00 2.18 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 0.00 2.30 2.28 0.00 47 A 8.82 4.29 1.49 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 48 D 8.17 4.53 0.00 2.70 2.77 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 49 K 7.97 4.59 0.00 1.51 1.67 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.43 7.81 50 A 7.65 3.82 0.63 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 0.00 0.00 51 Y 7.45 4.68 0.00 2.90 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 52 V 8.39 3.80 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 0.60 0.00 0.00 0.75 0.00 0.00 53 S 9.09 4.79 0.00 4.06 3.98 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 54 N 8.55 5.19 0.00 2.75 2.85 0.00 0.00 6.56 7.66 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 55 E 8.25 3.97 0.00 2.15 2.24 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 2.39 2.38 0.00 56 S 8.85 4.04 0.00 3.87 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 57 A 7.59 2.58 1.09 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 0.00 0.00 58 I 6.95 3.56 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.81 0.84 0.00 0.00 59 R 7.48 4.24 0.00 1.92 2.01 0.00 3.20 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 1.61 1.57 0.00 60 F 7.17 5.03 0.00 3.00 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 61 G 8.21 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 0.00 0.00 0.00 0.00 62 S 8.44 4.64 0.00 3.86 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 63 V 7.32 4.44 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 0.66 0.00 0.00 0.51 0.00 0.00 64 S 8.20 4.48 0.00 4.11 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 0.00 65 C 8.13 3.98 0.00 2.96 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 66 L 8.46 3.60 0.00 1.77 1.76 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 7.80 4.38 0.00 2.88 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 68 Y 7.18 4.89 0.00 2.81 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 69 D 8.88 4.50 0.00 2.79 2.66 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 70 N 8.94 4.86 0.00 3.06 3.25 0.00 0.00 6.99 7.66 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 71 R 7.91 3.95 0.00 1.51 1.69 0.00 3.07 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 72 Y 7.69 4.37 0.00 3.06 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 73 W 8.69 5.07 0.00 3.08 3.20 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 0.00 0.00 0.00 0.00 74 T 8.12 4.35 2.84 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 0.93 0.00 0.00 75 M 8.46 4.67 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.77 0.00 76 W 9.52 4.76 0.00 3.69 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 77 K 8.48 3.38 0.00 1.67 0.77 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.75 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.83 0.21 7.81 78 L 8.23 4.92 0.00 1.60 1.59 1.00 1.04 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 79 P 0.00 4.37 0.00 0.66 1.81 0.00 3.63 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 1.94 2.13 0.00 80 M 8.47 4.30 0.00 2.06 2.01 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 2.61 2.54 0.00 81 F 7.39 4.49 0.00 3.09 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 82 G 9.13 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 0.00 0.00 0.00 83 C 7.88 4.28 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.68 4.53 0.00 1.81 1.88 0.00 3.21 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 85 D 7.76 4.83 0.00 2.72 2.53 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 86 P 0.00 4.32 0.00 2.22 2.12 0.00 3.67 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 2.13 2.20 0.00 87 M 8.17 4.11 0.00 2.06 2.27 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 2.63 2.71 0.00 88 Q 7.94 3.96 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 89 V 7.74 3.60 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 1.05 0.00 0.00 0.97 0.00 0.00 90 L 8.04 4.04 0.00 1.90 1.72 0.95 0.78 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 91 R 8.33 4.00 0.00 2.08 2.01 0.00 3.15 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 92 E 8.30 4.15 0.00 2.25 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 2.62 2.65 0.00 93 I 7.79 3.51 1.99 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 0.94 0.85 0.00 0.00 94 V 7.59 3.47 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 0.97 0.00 0.00 0.97 0.00 0.00 95 A 7.95 3.93 1.54 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 0.00 0.00 96 C 7.64 2.00 0.00 1.23 2.24 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 97 T 7.53 3.71 4.34 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 1.14 0.00 0.00 98 K 7.68 3.81 0.00 1.83 1.93 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.39 7.81 99 A 7.62 3.96 1.17 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 0.00 0.00 0.00 100 F 7.73 4.75 0.00 2.81 2.79 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 0.00 0.00 0.00 0.00 101 P 0.00 4.43 0.00 2.12 2.11 0.00 3.30 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.87 0.00 102 D 8.08 4.67 0.00 2.68 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 0.00 103 A 7.34 4.75 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 0.00 104 Y 8.41 4.19 0.00 2.59 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 0.00 105 V 8.99 5.21 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 1.09 0.00 0.00 0.89 0.00 0.00 106 R 9.65 5.03 0.00 1.78 1.90 0.00 2.33 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.34 0.00 107 L 8.14 4.88 0.00 1.50 0.76 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.66 4.83 1.62 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 0.44 0.00 0.00 0.54 0.00 0.00 109 A 8.08 4.88 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 110 F 9.11 5.24 0.00 2.98 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 0.00 111 D 8.77 5.42 0.00 2.41 2.45 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 0.00 112 N 9.18 4.76 0.00 2.93 3.05 0.00 0.00 6.30 7.39 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 0.00 113 Q 8.82 4.22 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.06 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 114 K 8.32 4.01 0.00 1.76 1.87 0.00 2.07 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.46 7.81 115 Q 8.07 3.46 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.72 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 116 V 7.74 4.51 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 0.58 0.00 0.00 0.91 0.00 0.00 117 Q 8.73 4.37 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 2.17 1.89 0.00 118 I 8.16 4.16 1.19 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.27 -0.49 0.00 0.00 119 M 6.78 4.66 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 120 G 8.28 4.77 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 0.00 0.00 0.00 121 F 7.06 4.97 0.00 3.22 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 L 8.89 4.51 0.00 1.62 1.63 0.76 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.85 4.52 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 0.70 0.00 0.00 0.92 0.00 0.00 124 Q 7.82 4.63 0.00 2.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 125 R 8.14 4.37 0.00 1.23 1.53 0.00 2.21 0.00 0.00 2.77 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.23 0.00 126 P 0.00 4.18 0.00 2.10 2.16 0.00 2.20 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 127 K 8.44 4.10 0.00 1.74 1.91 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.38 7.81 128 T 7.77 4.13 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 1.21 0.00 0.00 129 A 7.80 4.22 1.54 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 0.00 0.00 130 R 8.86 4.63 0.00 1.80 1.89 0.00 3.33 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.53 0.00 131 D 8.50 4.93 0.00 2.89 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 0.00 132 F 7.89 5.44 0.00 3.22 3.17 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 0.00 133 Q 8.35 4.41 0.00 1.87 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.05 0.00 0.00 0.00 0.00 0.00 2.31 2.04 0.00 134 P 0.00 4.50 0.00 2.39 2.20 0.00 3.53 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.88 0.00 135 A 8.82 3.94 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 0.00 136 N 8.07 4.56 0.00 2.83 2.94 0.00 0.00 5.87 7.13 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 0.00 137 K 7.92 4.43 0.00 1.60 1.71 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.29 7.81 138 R 7.61 3.59 0.00 1.57 0.66 0.00 3.01 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.53 0.00 139 S 7.46 5.08 0.00 4.02 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 0.00 140 V 8.55 3.98 2.05 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 0.61 0.00 0.00 0.94 0.00 0.00