NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3341 8.3049 120.3398 55.2719 33.5601 174.3234 2 I 4.2445 8.0234 126.4374 58.4475 38.7664 173.3025 3 I 5.0451 8.4296 119.5349 59.0346 41.9557 174.3472 4 E 4.3383 10.0721 122.9274 57.7926 32.0643 174.0703 5 G 4.6112 8.4890 112.1436 43.2664 0.0000 171.8971 6 D 4.5302 8.2610 119.6492 55.8935 41.4785 177.9299 7 G 4.0485 8.0206 105.3512 46.3145 0.0000 172.6342 8 I 5.1421 7.5749 119.7594 58.9643 40.6292 174.4683 9 L 4.8622 8.3878 128.8074 52.8454 43.8857 176.3299 10 D 4.7920 8.7042 121.3490 54.3074 41.5702 175.8305 11 K 4.6826 8.1555 118.6112 54.9031 35.8569 176.3703 12 R 4.1856 8.4209 119.3569 55.9192 30.5981 178.2593 13 S 4.2845 8.5365 116.9556 60.5507 62.8872 175.0051 14 E 4.2377 7.9655 116.9439 56.7516 30.1154 175.9158 15 D 4.7606 7.9033 120.1681 52.7938 42.6891 176.5918 16 A 3.9875 8.5631 125.8382 54.7342 18.6780 177.2328 17 G 4.0507 7.3438 99.2179 45.0500 0.0000 170.8474 18 Y 4.8116 8.6973 117.2678 56.3518 40.0307 175.7217 19 D 4.9709 8.7951 123.6802 54.3806 42.5162 174.9733 20 L 5.1932 8.9029 122.7864 53.0445 44.3778 175.3907 21 L 5.2295 8.7359 123.2115 52.6648 44.7054 175.8375 22 A 4.2808 8.7188 124.7041 52.2226 18.8762 178.4007 23 A 4.2790 8.8571 124.0355 53.5396 19.6048 177.2321 24 K 4.7034 7.8379 112.2816 54.3839 36.5295 175.3852 25 E 4.5479 8.6460 122.1149 55.7991 30.6799 175.4702 26 I 4.7080 8.7544 126.5856 59.7744 41.3717 173.5175 27 H 5.2568 8.9508 125.9654 54.3548 31.9536 173.2065 28 L 4.9221 8.9336 125.6726 53.0068 44.4564 176.2194 29 L 4.6758 9.3343 124.4819 52.6489 43.9320 174.7898 30 P 4.3725 0.0000 0.0000 64.4216 31.4747 177.3642 31 G 3.9175 9.0199 111.8577 45.1341 0.0000 172.7280 32 E 4.2624 8.0701 122.1965 55.6166 30.8864 175.1893 33 V 4.8458 8.3435 126.4361 61.3023 33.5257 174.7645 34 K 4.7473 8.9357 125.5521 54.8186 36.9558 175.0875 35 V 4.5773 8.3695 122.3073 61.6808 33.1374 174.8517 36 I 4.6066 8.9934 129.3483 59.0419 39.3866 173.1834 37 P 5.0289 0.0000 0.0000 62.5475 32.6723 176.3747 38 T 4.6641 8.0383 110.5022 60.3549 70.2230 175.7054 39 G 4.0004 8.5889 110.0677 45.0573 0.0000 173.7545 40 V 4.4915 7.2663 120.0367 60.7878 33.6700 175.4441 41 K 5.1697 8.8840 121.7877 54.6875 35.8650 175.2256 42 L 5.1197 8.4166 122.7106 54.5997 44.3150 175.4087 43 M 4.6553 8.5891 118.8142 53.2881 33.7131 176.2785 44 L 4.1945 8.5319 123.9140 53.5862 42.5913 175.8702 45 P 4.4200 0.0000 0.0000 62.2217 31.9691 175.8800 46 K 4.1368 8.5174 122.8701 57.9165 32.7520 177.0893 47 G 3.9000 10.1217 114.6777 45.1505 0.0000 171.7760 48 Y 5.4850 7.5732 115.5886 55.8081 42.3567 174.1217 49 W 5.3642 9.2927 117.5654 55.0472 32.8362 173.8026 50 G 4.2683 9.6536 107.0695 44.2143 0.0000 171.7997 51 L 5.2961 8.2557 127.3803 53.5761 43.9039 174.9367 52 I 4.9102 8.6888 128.2800 60.0540 38.5175 175.1588 53 I 4.6496 8.5211 126.8523 58.7274 41.4846 174.9718 54 G 4.1105 8.7454 114.7639 46.2273 0.0000 172.9779 55 K 4.5493 8.4669 120.6780 54.8684 33.5810 178.2276 56 S 4.2142 8.8327 118.2943 61.8552 62.2433 177.1887 57 S 4.0878 7.9899 116.6047 61.1956 63.1498 175.8983 58 I 4.1445 7.7466 115.9641 62.3747 37.9203 178.1194 59 G 3.5885 8.4042 111.0363 48.4863 0.0000 175.3486 60 S 4.3468 8.2395 112.6646 59.1748 63.2043 174.5396 61 K 4.1456 7.8443 121.7309 56.6873 32.6254 176.8994 62 G 4.0360 8.2409 107.2219 45.5101 0.0000 172.1286 63 L 5.1823 7.6382 118.4718 52.7680 43.6543 175.3790 64 D 5.0422 8.7676 122.4995 52.4283 44.8942 174.3833 65 V 4.8243 8.2792 122.0534 61.2996 32.9931 174.9036 66 L 4.5355 8.5604 127.7731 53.8218 43.7082 178.6724 67 G 3.6190 9.1902 108.4834 47.0510 0.0000 173.6216 68 G 3.5052 8.3536 114.2886 45.0109 0.0000 172.2870 69 V 5.0366 7.7288 120.8556 61.1823 33.1913 174.8947 70 I 4.4336 9.1097 129.9265 59.6000 39.1346 175.1877 71 D 4.8484 8.7017 127.2810 53.8071 41.6652 177.1996 72 E 3.9944 9.3122 122.7586 59.5242 29.6745 178.5697 73 G 3.7604 8.0645 105.5408 47.2495 0.0000 173.0941 74 Y 4.2149 8.3517 123.3447 57.9373 38.9921 175.9471 75 R 4.3047 7.7863 124.8517 55.4732 31.5730 175.2500 76 G 3.6799 5.5980 104.7653 44.5635 0.0000 172.3927 77 E 4.3648 8.3827 119.8762 55.5752 30.6232 176.2057 78 I 4.1796 8.9958 127.7465 61.3770 38.2051 175.3282 79 G 4.4780 8.6872 112.8077 44.4890 0.0000 171.6786 80 V 4.5349 8.9912 122.3219 60.7135 34.4447 174.5859 81 I 4.4798 8.3345 128.9641 61.2426 38.5734 174.5384 82 M 5.7453 9.1299 126.4791 52.8883 35.8338 173.6310 83 I 4.8461 8.3598 125.8124 59.6482 40.7384 174.4915 84 N 4.7092 8.6541 125.2443 52.4378 38.7449 174.6823 85 V 4.5493 8.3126 121.0839 61.5457 32.4256 175.9302 86 S 4.9367 7.8934 116.8705 56.9263 65.4490 173.2202 87 R 4.4264 8.4565 117.2375 56.2677 30.8167 175.8271 88 K 4.5188 8.1454 120.3845 54.9725 33.6991 175.7154 89 S 4.6574 8.5348 121.0664 57.9268 63.4397 173.1951 90 I 4.7493 8.8856 127.1366 59.8168 41.1858 174.2157 91 T 5.0179 8.6211 122.0358 61.8571 70.8416 173.4678 92 L 4.7892 9.1797 126.5647 53.5374 44.1144 175.9035 93 M 4.6449 9.6062 123.2311 53.9952 33.9010 175.6632 94 E 4.1347 8.5882 122.7151 57.9395 30.1932 177.2702 95 R 4.0425 9.1471 124.0857 56.3169 28.6708 175.9187 96 Q 4.3286 7.8859 120.3633 55.3377 30.5139 175.1535 97 K 4.6941 8.6695 125.6672 56.6580 32.0455 176.5529 98 I 4.4263 8.7283 118.4239 61.9082 40.1091 174.8160 99 A 4.6158 7.4555 121.7847 51.3983 22.4879 174.3422 100 Q 4.8868 8.8205 116.0520 54.7867 33.1828 174.0779 101 L 5.1691 9.2461 128.1879 53.4836 44.3807 174.9110 102 I 4.7713 8.4561 126.6198 59.5192 40.5333 174.5126 103 I 4.5372 8.2464 126.8403 59.9600 38.1728 175.0404 104 L 5.0131 7.8567 126.6852 51.8743 45.5317 174.2325 105 P 4.6738 0.0000 0.0000 62.7221 32.3241 175.0312 106 C 4.9332 8.6175 118.1477 56.3416 31.8068 173.1047 107 K 4.2520 8.6120 123.6224 55.1486 32.6611 174.8216 108 H 4.7296 8.7184 126.5957 54.7550 30.4796 173.6987 109 E 4.7088 8.2523 125.6290 54.3378 32.6609 175.8589 110 V 3.8787 8.0093 114.7745 60.5100 32.5835 176.0746 111 L 4.2139 8.3603 124.8237 54.1617 41.8169 176.1050 112 E 4.5962 8.4635 123.3900 54.0674 31.8848 175.8400 113 Q 4.1386 8.7844 125.5010 56.0241 30.2773 176.1156 114 G 3.9907 7.5435 110.5856 45.8262 0.0000 171.5838 115 K 4.3952 8.6671 121.8017 54.2754 34.3665 176.8039 116 V 3.7761 8.3446 126.2404 61.9643 31.3359 175.7958 117 V 3.7554 8.5510 126.2927 63.5492 31.1513 175.5514 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.33 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.47 0.00 2 I 8.02 4.24 1.84 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 1.38 0.06 0.88 0.00 0.00 3 I 8.43 5.05 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.61 0.79 0.00 0.00 4 E 10.07 4.34 0.00 1.92 1.77 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 2.17 2.22 0.00 5 G 8.49 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.26 4.53 0.00 2.68 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 7 G 8.02 4.05 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 0.00 0.00 0.00 8 I 7.57 5.14 1.84 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.99 0.85 0.00 0.00 9 L 8.39 4.86 0.00 1.63 1.59 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.70 4.79 0.00 2.70 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 11 K 8.16 4.68 0.00 1.59 1.50 0.00 1.14 0.00 0.00 0.61 0.00 0.00 2.61 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.84 1.17 7.81 12 R 8.42 4.19 0.00 1.88 1.85 0.00 3.46 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 13 S 8.54 4.28 0.00 3.83 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 14 E 7.97 4.24 0.00 2.02 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 0.00 2.22 2.34 0.00 15 D 7.90 4.76 0.00 2.66 2.49 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 16 A 8.56 3.99 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 17 G 7.34 4.05 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 0.00 0.00 0.00 18 Y 8.70 4.81 0.00 2.87 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 19 D 8.80 4.97 0.00 2.64 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.90 5.19 0.00 1.81 1.57 0.95 0.68 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 21 L 8.74 5.23 0.00 1.73 1.55 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.72 4.28 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 23 A 8.86 4.28 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 24 K 7.84 4.70 0.00 1.61 1.70 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.40 7.81 25 E 8.65 4.55 0.00 1.98 1.85 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 2.27 2.47 0.00 26 I 8.75 4.71 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 1.13 0.76 0.92 0.00 0.00 27 H 8.95 5.26 0.00 3.12 3.20 0.00 5.86 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.93 4.92 0.00 1.59 1.48 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 29 L 9.33 4.68 0.00 1.54 1.57 0.94 0.98 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 30 P 0.00 4.37 0.00 2.03 2.18 0.00 3.71 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 2.03 2.17 0.00 31 G 9.02 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 0.00 0.00 0.00 32 E 8.07 4.26 0.00 2.14 1.88 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 2.28 2.25 0.00 33 V 8.34 4.85 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 0.86 0.00 0.00 0.93 0.00 0.00 34 K 8.94 4.75 0.00 1.73 1.61 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.35 1.41 7.81 35 V 8.37 4.58 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 0.80 0.00 0.00 0.93 0.00 0.00 36 I 8.99 4.61 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 1.51 1.08 0.92 0.00 0.00 37 P 0.00 5.03 0.00 2.20 2.22 0.00 3.40 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 2.05 2.09 0.00 38 T 8.04 4.66 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 1.23 0.00 0.00 39 G 8.59 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.27 4.49 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 0.79 0.00 0.00 0.91 0.00 0.00 41 K 8.88 5.17 0.00 1.64 1.61 0.00 1.54 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.32 7.81 42 L 8.42 5.12 0.00 1.62 1.53 0.94 0.46 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 43 M 8.59 4.66 0.00 1.87 2.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 44 L 8.53 4.19 0.00 1.73 1.70 1.09 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.42 0.00 2.19 1.96 0.00 3.58 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 1.86 1.99 0.00 46 K 8.52 4.14 0.00 1.77 1.79 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.48 7.81 47 G 10.12 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 0.00 0.00 0.00 48 Y 7.57 5.48 0.00 2.97 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 W 9.29 5.36 0.00 3.64 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 50 G 9.65 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.26 5.30 0.00 1.08 1.21 1.21 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.69 4.91 1.91 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 1.14 0.75 0.93 0.00 0.00 53 I 8.52 4.65 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 1.50 0.90 0.00 0.00 54 G 8.75 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 0.00 0.00 0.00 0.00 55 K 8.47 4.55 0.00 1.83 1.72 0.00 1.82 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.32 7.81 56 S 8.83 4.21 0.00 4.04 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.99 4.09 0.00 4.04 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 58 I 7.75 4.14 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.90 0.91 0.00 0.00 59 G 8.40 3.59 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 0.00 60 S 8.24 4.35 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.84 4.15 0.00 1.76 1.91 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.39 1.41 7.81 62 G 8.24 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 63 L 7.64 5.18 0.00 1.52 1.59 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.77 5.04 0.00 2.79 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.28 4.82 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 0.93 0.00 0.00 0.96 0.00 0.00 66 L 8.56 4.54 0.00 1.56 1.56 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 67 G 9.19 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 68 G 8.35 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.73 5.04 2.07 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 0.79 0.00 0.00 0.89 0.00 0.00 70 I 9.11 4.43 1.99 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 0.81 1.11 0.00 0.00 71 D 8.70 4.85 0.00 2.71 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 72 E 9.31 3.99 0.00 2.31 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 0.00 2.38 2.61 0.00 73 G 8.06 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 74 Y 8.35 4.21 0.00 3.04 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 75 R 7.79 4.30 0.00 1.59 1.67 0.00 3.29 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 76 G 5.60 3.68 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 0.00 0.00 0.00 77 E 8.38 4.36 0.00 1.95 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 2.33 2.24 0.00 78 I 9.00 4.18 1.93 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 1.41 1.20 0.96 0.00 0.00 79 G 8.69 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.99 4.53 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 0.98 0.00 0.00 0.95 0.00 0.00 81 I 8.33 4.48 2.09 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 1.23 0.63 0.91 0.00 0.00 82 M 9.13 5.75 0.00 2.02 1.84 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 2.64 2.33 0.00 83 I 8.36 4.85 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.40 0.91 0.00 0.00 84 N 8.65 4.71 0.00 2.81 2.83 0.00 0.00 7.01 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.31 4.55 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 0.73 0.00 0.00 1.01 0.00 0.00 86 S 7.89 4.94 0.00 3.94 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 87 R 8.46 4.43 0.00 1.80 1.98 0.00 3.36 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 88 K 8.15 4.52 0.00 1.71 1.69 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.38 7.81 89 S 8.53 4.66 0.00 3.95 3.78 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 90 I 8.89 4.75 1.85 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 1.23 0.96 0.91 0.00 0.00 91 T 8.62 5.02 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 92 L 9.18 4.79 0.00 1.60 1.57 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 93 M 9.61 4.64 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 94 E 8.59 4.13 0.00 1.93 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 2.30 2.48 0.00 95 R 9.15 4.04 0.00 1.99 2.11 0.00 3.21 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 96 Q 7.89 4.33 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 7.00 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 97 K 8.67 4.69 0.00 1.69 1.75 0.00 1.75 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.44 7.81 98 I 8.73 4.43 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 1.35 0.67 0.92 0.00 0.00 99 A 7.46 4.62 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 8.82 4.89 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.72 0.00 0.00 0.00 0.00 0.00 2.22 2.44 0.00 101 L 9.25 5.17 0.00 1.79 1.62 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.46 4.77 1.74 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 1.17 0.52 0.84 0.00 0.00 103 I 8.25 4.54 1.77 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.59 0.68 0.00 0.00 104 L 7.86 5.01 0.00 0.60 1.43 0.73 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 4.67 0.00 2.01 1.99 0.00 3.82 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 106 C 8.62 4.93 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 0.00 107 K 8.61 4.25 0.00 1.71 1.75 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.45 7.81 108 H 8.72 4.73 0.00 3.12 3.19 0.00 5.72 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.25 4.71 0.00 1.88 1.74 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 2.15 2.19 0.00 110 V 8.01 3.88 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 0.68 0.00 0.00 0.90 0.00 0.00 111 L 8.36 4.21 0.00 1.59 1.60 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.46 4.60 0.00 1.89 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 2.18 2.23 0.00 113 Q 8.78 4.14 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 114 G 7.54 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 0.00 115 K 8.67 4.40 0.00 1.68 1.66 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.37 7.81 116 V 8.34 3.78 2.07 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 0.81 0.00 0.00 0.92 0.00 0.00 117 V 8.55 3.76 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 0.80 0.00 0.00 0.93 0.00 0.00