NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9912 8.3549 109.7394 45.9218 0.0000 174.2576 5 S 4.4023 8.7147 114.5667 59.7601 63.9115 174.6667 6 R 3.7753 8.2836 120.7247 59.3995 30.9944 177.4761 7 R 3.6522 7.9525 116.8032 58.9011 29.8979 176.3125 8 Y 4.5056 7.8783 112.5539 57.4752 38.1886 174.9073 9 D 4.6125 7.8051 120.6632 53.4796 40.9775 176.4581 10 S 4.1206 8.6819 124.0093 59.7936 63.3313 174.1089 11 R 3.7529 8.4402 118.6758 57.0869 26.4786 177.1060 12 T 4.1455 7.7491 105.5705 63.2067 69.9838 175.2089 13 T 4.6258 7.4243 110.8877 60.7131 68.4526 172.6626 14 I 4.5834 7.1531 113.2202 59.5030 41.4580 175.3463 15 F 4.6913 8.4382 119.7833 56.7219 39.9461 176.1632 16 S 4.5576 8.5081 118.7004 56.0021 63.9174 173.5656 17 P 4.3450 0.0000 0.0000 65.0317 31.0394 177.3257 18 E 4.2507 8.1286 115.9371 55.9358 29.6380 176.3702 19 G 3.6358 8.2970 107.3796 46.3613 0.0000 173.8914 20 R 4.5612 7.8732 117.7231 54.2407 32.5793 175.8071 21 L 4.4482 7.6831 119.8142 53.6357 41.8232 177.3857 22 Y 3.5789 7.2812 119.6511 60.9081 38.0865 178.2119 23 Q 3.9922 8.0384 118.1535 59.2343 28.9724 179.4616 24 V 3.5604 7.6148 118.4583 65.9091 31.6480 177.6194 25 E 3.9408 8.0870 118.3970 59.9264 29.3941 179.1474 26 Y 4.4422 8.2886 116.6346 60.9076 37.7817 178.4017 27 A 4.0637 8.6531 122.2182 55.2221 18.5016 179.6248 28 L 3.9129 8.1419 117.5396 58.0012 41.4833 179.3086 29 E 3.9382 8.1105 118.1335 59.2686 29.7430 178.7134 30 S 4.3042 8.1785 113.1913 61.5528 62.5594 176.2351 31 I 3.7780 7.9761 122.8724 64.0952 36.5849 178.0277 32 S 4.2977 8.0595 113.4466 60.1878 62.8584 174.3434 33 H 4.7481 7.8016 118.2519 55.4886 29.4312 174.4862 34 A 4.3274 7.8372 123.3147 50.7870 19.2312 177.7168 35 G 4.0415 8.5312 108.3710 45.4551 0.0000 173.5632 36 T 4.1681 8.4874 119.1676 63.3390 69.8191 173.0942 37 A 5.1803 8.5500 126.5352 50.1934 21.8202 175.3365 38 I 4.5933 9.5832 123.8086 59.2922 41.2115 174.8977 39 G 4.4219 8.7432 112.2788 44.5215 0.0000 171.8147 40 I 4.6569 8.8896 126.5360 59.6034 40.6142 174.1732 41 M 4.7502 8.7808 126.9579 54.1170 33.2884 175.2054 42 A 4.5626 8.4496 132.0388 51.3031 21.1887 176.0320 43 S 4.4765 8.6082 109.0207 59.7790 63.8307 174.6073 44 D 4.8656 8.8720 118.8402 50.9930 39.5617 175.7327 45 G 4.0652 6.8572 109.0235 46.3351 0.0000 171.3313 46 I 5.0963 7.7052 118.7877 59.3327 41.1113 175.5282 47 V 4.4856 8.9943 124.2412 61.0864 34.5895 174.1407 48 L 5.2852 8.6669 126.5650 52.9137 44.3529 175.6925 49 A 4.8173 9.3102 125.0017 50.1670 22.4387 174.6251 50 A 4.9819 8.5540 122.5038 50.1346 22.8242 174.7439 51 E 4.4591 8.9822 122.0465 54.2348 31.5051 175.5655 52 R 4.0660 8.6013 126.6957 56.0685 30.2522 176.2705 53 K 3.9595 8.5608 125.1864 56.6749 32.9115 173.3262 54 V 3.1681 8.6180 131.1740 62.8477 31.7556 171.2886 55 T 4.6985 8.1015 114.9262 60.6559 72.2397 171.8699 56 S 4.6141 8.0038 114.5029 57.1270 65.6224 174.7141 57 T 3.9903 8.4721 119.1623 66.6394 68.1967 176.3799 58 L 4.0550 7.5722 119.7985 56.7016 41.8971 176.9882 59 L 3.7635 7.2608 119.6081 55.0404 41.9495 176.1398 60 E 4.0162 8.7021 127.5628 56.3650 29.6572 175.8331 61 Q 4.2088 8.6124 128.4702 58.3385 29.7355 177.4839 62 D 4.3946 8.1492 116.7549 56.9241 40.9509 176.9845 63 T 4.4128 7.8100 112.8560 63.0801 68.9362 173.7582 63A S 4.7250 7.6278 116.8677 57.2599 63.6355 174.8773 64 T 4.4358 8.0208 123.3869 62.6654 69.8246 172.9363 65 E 4.6659 8.2793 121.0845 55.9697 31.1246 177.3445 66 K 4.6978 7.5923 116.1908 55.7362 36.0673 175.4442 67 L 5.1223 7.6910 119.2836 53.0592 43.6779 175.5972 68 Y 4.7271 8.7441 121.7089 55.8044 41.5808 175.0840 69 K 4.4847 8.7974 125.0057 55.8795 33.0019 176.1768 70 L 4.3181 8.6533 126.8064 56.4871 42.3945 175.6493 71 N 4.9545 7.4834 113.5274 52.4495 41.8517 173.0308 72 D 4.5618 8.6596 117.2402 56.1737 41.3060 177.2746 73 K 4.7291 8.0441 116.3521 55.8478 34.4613 175.4067 74 I 5.2504 7.6805 120.9306 59.5917 41.2540 174.1052 75 A 5.2165 9.2785 127.2383 50.4148 23.2268 175.0569 76 V 4.9364 8.7910 111.1447 59.5123 36.4272 174.5461 77 A 5.2783 9.0014 125.1532 50.3496 21.3013 175.7608 78 V 4.5012 9.0160 122.8713 61.3577 33.7087 175.5371 79 A 4.3146 9.1334 128.0379 53.2403 21.3255 173.3757 80 G 3.7674 8.6669 113.3820 45.1942 0.0000 173.7903 81 L 4.1266 8.8331 127.4445 54.7114 41.3951 177.6075 82 T 3.8688 8.8649 121.6970 66.7943 68.1636 176.0520 83 A 3.9988 8.0319 121.7389 55.3853 18.4935 179.2595 84 D 4.4193 8.1026 116.5298 57.3587 40.9286 178.4392 85 A 3.9846 8.0832 121.3466 55.4890 18.3302 179.3496 86 E 3.6193 8.2887 117.0426 59.5876 29.4364 179.6650 87 I 3.6936 7.4578 119.3888 64.4795 37.2696 178.4252 88 L 3.7712 7.5834 118.9175 57.8148 41.4006 179.4126 89 I 3.4802 8.2901 120.1887 64.5528 37.0256 177.9586 90 N 4.2696 8.2710 117.8793 56.8937 38.8278 177.0628 91 T 3.9312 7.7938 110.5252 64.3790 68.6604 176.4857 92 A 3.9328 7.8855 123.8794 55.2713 18.5791 179.5244 93 R 4.0026 8.0940 116.7155 59.6857 30.0632 179.4204 94 I 3.7263 7.7867 119.3167 64.6477 37.1353 177.7774 95 H 4.1833 8.4184 118.8957 59.3062 29.5921 176.9645 96 A 3.9253 8.1620 122.3967 55.4831 18.2198 179.7284 97 Q 4.0471 8.0141 115.9737 59.0630 28.6410 178.7676 98 N 4.3715 8.5553 117.9139 56.2998 38.5093 176.7273 99 Y 4.0318 8.1488 120.9516 60.6928 38.9553 177.8585 100 L 4.3140 8.1009 122.5501 57.6187 41.9678 178.8769 101 K 3.9794 8.2509 118.7330 59.7691 32.1813 178.6871 102 T 3.7488 7.8551 115.3207 66.0436 68.4285 175.6088 103 Y 4.5054 7.7149 116.1239 56.7332 39.3405 175.9071 104 N 4.5126 8.6564 116.0087 53.9687 36.6609 173.7859 105 E 4.7956 7.9272 116.0155 54.3502 33.5484 174.9828 106 D 4.6213 8.7889 122.9358 54.2014 41.5219 176.2313 107 I 2.7247 8.1829 123.2914 59.7884 38.4795 174.5447 108 P 4.1318 0.0000 0.0000 62.3909 32.7955 176.9968 109 V 3.4731 8.4011 122.4848 66.4028 31.4134 178.1630 110 E 3.7464 7.9508 118.0617 59.1916 29.3726 178.3488 111 I 3.5749 7.5980 119.3795 64.4846 37.2293 177.9316 112 L 3.8307 7.4070 120.9894 58.0116 41.9148 179.1665 113 V 3.0490 7.3718 118.2692 65.7619 31.2960 178.0052 114 R 3.8517 8.4487 118.8267 59.1431 29.8359 178.5748 115 R 3.8233 7.7292 118.7256 59.4217 30.2461 178.1276 116 L 3.9426 7.7060 119.6380 58.4625 41.9180 179.2088 117 S 4.2435 8.2359 115.0060 61.6166 62.7371 176.3157 118 D 4.3903 8.3105 121.8431 57.3228 40.2952 178.8777 119 I 3.8192 7.7482 119.4718 64.3558 36.9219 178.2319 120 K 4.2742 7.9205 118.7730 59.7228 31.9366 178.9922 121 Q 4.1709 8.5563 120.1202 59.1541 28.7837 178.7964 122 G 3.6200 8.1619 106.6559 48.0686 0.0000 174.9420 123 Y 3.9969 7.8398 115.1967 59.3910 37.8381 177.5464 124 T 4.3455 7.6900 116.5104 63.8612 69.5610 174.9179 125 Q 4.4401 7.9996 119.9477 56.0910 30.8792 174.2635 126 H 4.6597 7.6671 110.5788 55.3583 30.9642 173.6022 127 G 3.7895 8.7398 108.5813 44.1730 0.0000 174.5410 128 G 4.2351 7.7938 105.9007 46.2796 0.0000 173.0976 129 L 4.7046 7.0317 117.7528 52.1383 44.0030 176.6998 130 R 4.1782 8.1160 116.4710 55.2828 30.2136 174.6454 131 P 4.5131 0.0000 0.0000 61.9022 32.3259 175.7857 132 F 4.3638 8.5119 118.6078 57.2268 40.0379 177.6171 133 G 4.0351 9.0145 116.2601 45.0580 0.0000 172.7075 134 V 4.8802 7.2680 118.1049 61.4859 35.8247 174.9410 135 S 4.6601 8.4661 121.5863 56.6995 66.4699 173.0786 136 F 5.3772 8.7733 121.7358 55.7008 42.1929 174.9200 137 I 4.5538 8.3879 121.8077 59.9735 40.0001 173.9987 138 Y 5.0854 9.0038 124.9172 56.3329 39.6894 175.1043 139 A 4.7279 9.2142 126.4023 50.3556 21.5326 175.3058 140 G 5.0430 8.5255 108.0533 45.8721 0.0000 170.6567 141 Y 5.0261 8.3407 119.9216 56.0406 41.7437 173.7191 142 D 4.4750 7.3182 123.7820 51.6782 42.4070 174.7363 143 D 4.4881 8.3964 117.5604 53.6888 39.1437 176.3420 144 R 4.0861 8.2530 126.3432 56.9443 30.1600 175.1803 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 4 G 8.35 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 0.00 0.00 0.00 5 S 8.71 4.40 0.00 4.04 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 6 R 8.28 3.78 0.00 1.83 1.93 0.00 3.16 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 7 R 7.95 3.65 0.00 1.48 1.04 0.00 2.43 0.00 0.00 2.94 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.34 0.00 8 Y 7.88 4.51 0.00 2.95 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 9 D 7.81 4.61 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 10 S 8.68 4.12 0.00 3.92 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.44 3.75 0.00 2.07 2.02 0.00 3.13 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.81 0.00 12 T 7.75 4.15 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 1.23 0.00 0.00 13 T 7.42 4.63 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 1.21 0.00 0.00 14 I 7.15 4.58 1.95 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.96 0.93 0.00 0.00 15 F 8.44 4.69 0.00 3.07 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 16 S 8.51 4.56 0.00 3.72 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 17 P 0.00 4.34 0.00 2.09 2.18 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 18 E 8.13 4.25 0.00 1.89 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 2.27 2.35 0.00 19 G 8.30 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 20 R 7.87 4.56 0.00 1.65 1.89 0.00 3.05 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 21 L 7.68 4.45 0.00 1.56 1.46 0.80 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.28 3.58 0.00 2.82 2.36 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 23 Q 8.04 3.99 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 24 V 7.61 3.56 2.16 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 1.07 0.00 0.00 0.90 0.00 0.00 25 E 8.09 3.94 0.00 1.90 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 0.00 2.34 2.35 0.00 26 Y 8.29 4.44 0.00 2.94 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 27 A 8.65 4.06 1.42 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 0.00 0.00 28 L 8.14 3.91 0.00 1.96 1.75 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.11 3.94 0.00 2.06 2.32 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 2.37 2.44 0.00 30 S 8.18 4.30 0.00 3.99 4.12 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 31 I 7.98 3.78 1.98 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 1.54 0.75 0.93 0.00 0.00 32 S 8.06 4.30 0.00 3.94 4.04 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 33 H 7.80 4.75 0.00 3.28 3.33 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.84 4.33 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 35 G 8.53 4.04 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 0.00 0.00 0.00 36 T 8.49 4.17 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 37 A 8.55 5.18 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 38 I 9.58 4.59 1.88 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 1.17 0.78 0.92 0.00 0.00 39 G 8.74 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 0.00 0.00 0.00 40 I 8.89 4.66 1.88 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 1.12 0.67 0.92 0.00 0.00 41 M 8.78 4.75 0.00 2.03 1.99 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 2.52 2.49 0.00 42 A 8.45 4.56 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 43 S 8.61 4.48 0.00 4.00 4.01 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 44 D 8.87 4.87 0.00 2.75 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 45 G 6.86 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 0.00 0.00 0.00 0.00 46 I 7.71 5.10 1.90 0.00 0.00 0.92 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 0.76 0.97 0.00 0.00 47 V 8.99 4.49 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 1.07 0.00 0.00 0.93 0.00 0.00 48 L 8.67 5.29 0.00 1.53 1.54 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 49 A 9.31 4.82 1.18 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 0.00 0.00 50 A 8.55 4.98 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 51 E 8.98 4.46 0.00 2.03 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 2.22 2.26 0.00 52 R 8.60 4.07 0.00 1.83 1.94 0.00 3.24 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.60 0.00 53 K 8.56 3.96 0.00 1.79 1.71 0.00 2.07 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.43 7.81 54 V 8.62 3.17 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 0.84 0.00 0.00 0.93 0.00 0.00 55 T 8.10 4.70 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 56 S 8.00 4.61 0.00 3.82 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 57 T 8.47 3.99 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 58 L 7.57 4.05 0.00 1.58 1.73 0.92 1.43 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 59 L 7.26 3.76 0.00 1.68 1.78 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.70 4.02 0.00 1.95 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 0.00 2.29 2.35 0.00 61 Q 8.61 4.21 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.29 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 62 D 8.15 4.39 0.00 2.68 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 63 T 7.81 4.41 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 63A S 7.63 4.72 0.00 4.04 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 64 T 8.02 4.44 4.11 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 0.69 0.00 0.00 65 E 8.28 4.67 0.00 2.09 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 0.00 2.16 2.29 0.00 66 K 7.59 4.70 0.00 1.64 1.82 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.44 7.81 67 L 7.69 5.12 0.00 1.34 1.48 0.91 0.73 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 68 Y 8.74 4.73 0.00 2.86 2.81 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 0.00 0.00 0.00 69 K 8.80 4.48 0.00 1.73 1.75 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.53 7.81 70 L 8.65 4.32 0.00 1.82 1.68 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 71 N 7.48 4.95 0.00 2.61 2.67 0.00 0.00 7.00 8.47 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 72 D 8.66 4.56 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 73 K 8.04 4.73 0.00 1.72 2.02 0.00 1.74 0.00 0.00 2.08 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.48 7.81 74 I 7.68 5.25 1.88 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 1.28 0.73 0.96 0.00 0.00 75 A 9.28 5.22 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 76 V 8.79 4.94 1.80 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 0.29 0.00 0.00 0.88 0.00 0.00 77 A 9.00 5.28 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 78 V 9.02 4.50 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 0.68 0.00 0.00 1.30 0.00 0.00 79 A 9.13 4.31 1.18 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 0.00 0.00 80 G 8.67 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 81 L 8.83 4.13 0.00 1.64 1.65 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.86 3.87 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 1.32 0.00 0.00 83 A 8.03 4.00 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 84 D 8.10 4.42 0.00 2.94 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 85 A 8.08 3.98 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 86 E 8.29 3.62 0.00 2.08 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 2.07 2.55 0.00 87 I 7.46 3.69 2.13 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.69 1.03 0.00 0.00 88 L 7.58 3.77 0.00 1.92 1.65 0.55 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.29 3.48 1.83 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.59 0.76 0.00 0.00 90 N 8.27 4.27 0.00 2.80 2.93 0.00 0.00 7.02 6.88 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 91 T 7.79 3.93 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 1.24 0.00 0.00 92 A 7.89 3.93 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 93 R 8.09 4.00 0.00 1.99 2.02 0.00 3.13 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.89 0.00 94 I 7.79 3.73 2.04 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 1.42 0.64 0.94 0.00 0.00 95 H 8.42 4.18 0.00 3.34 3.49 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.16 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 97 Q 8.01 4.05 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.75 0.00 0.00 0.00 0.00 0.00 2.62 2.57 0.00 98 N 8.56 4.37 0.00 2.99 2.92 0.00 0.00 6.59 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 99 Y 8.15 4.03 0.00 3.25 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 0.00 100 L 8.10 4.31 0.00 1.93 1.90 1.02 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.25 3.98 0.00 1.87 1.93 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.46 7.81 102 T 7.86 3.75 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 0.06 0.00 0.00 103 Y 7.71 4.51 0.00 2.56 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 8.66 4.51 0.00 2.87 2.99 0.00 0.00 6.73 7.60 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 0.00 105 E 7.93 4.80 0.00 2.10 1.90 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 2.34 2.37 0.00 106 D 8.79 4.62 0.00 2.70 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 0.00 107 I 8.18 2.72 1.61 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.36 0.75 0.00 0.00 108 P 0.00 4.13 0.00 1.96 1.80 0.00 2.80 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.00 0.00 109 V 8.40 3.47 1.97 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 0.91 0.00 0.00 0.86 0.00 0.00 110 E 7.95 3.75 0.00 1.96 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 2.27 2.29 0.00 111 I 7.60 3.57 1.74 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.39 0.80 0.00 0.00 112 L 7.41 3.83 0.00 1.46 1.65 0.85 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.37 3.05 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 0.47 0.00 0.00 -0.30 0.00 0.00 114 R 8.45 3.85 0.00 1.80 1.86 0.00 3.14 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.61 0.00 115 R 7.73 3.82 0.00 1.95 2.11 0.00 3.16 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 116 L 7.71 3.94 0.00 1.95 1.72 0.76 0.76 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 0.00 117 S 8.24 4.24 0.00 4.07 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 0.00 118 D 8.31 4.39 0.00 2.98 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 0.00 119 I 7.75 3.82 2.05 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 1.60 0.65 1.00 0.00 0.00 120 K 7.92 4.27 0.00 2.09 1.96 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.45 1.56 7.81 121 Q 8.56 4.17 0.00 2.22 2.35 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 2.39 2.57 0.00 122 G 8.16 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 0.00 123 Y 7.84 4.00 0.00 3.18 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 0.00 124 T 7.69 4.35 4.49 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 1.14 0.00 0.00 125 Q 8.00 4.44 0.00 1.88 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.25 2.20 0.00 126 H 7.67 4.66 0.00 3.18 3.21 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.74 3.79 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 0.00 0.00 0.00 128 G 7.79 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 0.00 0.00 0.00 0.00 129 L 7.03 4.70 0.00 1.78 1.65 0.94 0.84 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 0.00 130 R 8.12 4.18 0.00 1.91 1.92 0.00 3.00 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 131 P 0.00 4.51 0.00 2.09 2.10 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 132 F 8.51 4.36 0.00 2.87 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 0.00 133 G 9.01 4.04 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 0.00 0.00 0.00 134 V 7.27 4.88 1.79 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 -0.24 0.00 0.00 0.84 0.00 0.00 135 S 8.47 4.66 0.00 3.69 3.63 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 0.00 136 F 8.77 5.38 0.00 2.55 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 0.00 0.00 0.00 137 I 8.39 4.55 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.81 0.96 0.00 0.00 138 Y 9.00 5.09 0.00 2.74 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 0.00 139 A 9.21 4.73 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 0.00 140 G 8.53 5.04 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 0.00 0.00 0.00 141 Y 8.34 5.03 0.00 2.97 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 0.00 142 D 7.32 4.48 0.00 2.56 2.38 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 0.00 143 D 8.40 4.49 0.00 2.80 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 0.00 144 R 8.25 4.09 0.00 1.63 1.82 0.00 3.23 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.46 0.00