NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1528 8.1727 122.0493 56.2858 34.0928 174.0388 2 V 4.5445 8.1691 127.2737 60.6685 32.2543 174.5016 3 F 4.3930 9.9772 128.8542 57.6003 40.1792 174.9574 4 E 4.3476 8.8049 120.7506 55.7068 31.0741 177.4336 5 R 3.3105 8.8508 121.4243 60.2787 30.0815 179.6751 6 C 4.3377 8.0469 115.4023 59.5816 38.6177 175.5956 7 E 3.9068 8.1278 120.7178 59.2482 29.2566 178.4736 8 L 3.5797 7.9104 120.0424 57.9076 42.0974 178.5887 9 A 3.9420 7.8458 120.6636 55.4835 18.3326 179.9309 10 R 3.9195 8.1060 116.3830 59.4611 30.2053 179.5216 11 T 3.8420 7.8307 115.7009 66.6526 68.4729 176.7711 12 L 3.8769 8.1368 121.3163 57.4316 41.5730 179.5137 13 K 3.9005 7.9654 119.8139 59.5319 32.0135 179.1066 14 R 4.0424 7.7371 114.4796 58.4998 29.4804 177.6668 15 L 4.3500 7.4181 117.6725 54.0697 41.8243 176.6352 16 G 3.8462 7.8883 106.9060 47.0314 0.0000 175.1324 17 M 3.9158 7.8277 121.0291 56.3365 32.4102 175.7743 18 D 4.6162 8.0071 117.7611 56.0246 41.0350 175.6596 19 G 3.9337 9.4125 115.6190 45.4953 0.0000 171.2522 20 Y 4.1662 8.3735 122.0227 58.5692 38.8864 176.3238 21 R 3.6476 8.9283 126.7982 57.3010 27.7781 177.2004 22 G 3.7986 8.1063 103.1195 45.7683 0.0000 174.0019 23 I 4.0990 7.5368 121.8533 59.0024 38.0529 175.8949 24 S 4.6110 8.3095 120.3469 57.6744 64.0364 174.8722 25 L 4.1923 8.9167 123.5534 58.6664 41.7483 179.4513 26 A 4.1807 8.1558 119.9575 55.1433 18.2573 179.2516 27 N 4.4454 8.1765 115.3969 56.3151 38.6459 177.7013 28 W 4.2738 8.0573 119.9305 59.8917 29.1293 178.4357 29 M 4.1814 8.4168 118.8762 58.5310 31.5629 177.8762 30 C 3.1713 8.0434 118.6420 59.1007 44.5437 175.3684 31 L 3.9961 8.2049 121.6969 58.3013 41.7455 178.8421 32 A 4.1092 8.2187 120.7096 54.8558 18.3258 179.3801 33 K 2.7855 8.1255 118.1933 59.4049 32.0239 179.1013 34 W 4.2803 7.5478 116.9440 59.1243 29.0698 178.4666 35 E 4.3132 8.3386 118.6639 58.7253 29.5305 177.8206 36 S 4.5357 7.8393 109.8317 56.4682 64.4957 174.2410 37 G 3.2402 8.0057 108.8005 47.0777 0.0000 173.3225 38 Y 3.6671 7.6594 112.8785 58.6199 35.1584 168.7521 39 N 5.3082 7.5912 117.9858 52.0088 39.9372 175.4290 40 T 4.1383 8.9859 117.5132 63.6267 69.9213 175.8680 41 R 4.7546 8.0663 117.1777 55.7233 30.5136 176.5358 42 A 4.3421 7.7915 122.8860 52.8565 19.3710 177.2496 43 T 5.1190 8.3279 110.9435 60.2710 72.4139 173.3724 44 N 4.8971 8.7257 120.9434 52.0608 42.7807 172.9618 45 Y 4.4902 8.7805 126.0011 57.4408 40.6600 174.0364 46 N 4.7775 8.4479 124.9608 51.0823 38.1638 175.2468 47 A 3.6919 8.1257 127.6946 54.6779 18.9546 180.2815 48 G 3.6886 7.9646 104.1428 47.9961 0.0000 173.7282 49 D 4.7012 6.9544 112.2763 51.9393 40.4097 175.5871 50 R 3.9725 8.1659 116.7342 57.1005 28.1366 175.7702 51 S 4.9889 7.6604 110.9117 56.9380 66.6904 172.6868 52 T 5.0735 8.7555 115.7172 61.9610 72.7949 172.8302 53 D 5.4601 8.8867 125.1239 53.3224 43.1882 175.1378 54 Y 5.0580 9.0322 120.3818 57.4301 41.9017 177.2365 55 G 4.3392 8.9237 111.5898 45.1677 0.0000 173.6537 56 I 3.8699 8.1970 116.8295 62.8912 37.7917 176.8989 57 F 4.6931 7.9870 115.4755 56.4382 39.9238 175.1951 58 Q 3.6439 7.8647 119.2861 57.1264 26.5888 174.2551 59 V 4.3375 7.9748 110.9713 61.0134 33.9528 177.0943 60 N 5.3222 9.2541 123.5088 53.3605 39.7120 175.9019 61 S 4.5224 9.1201 120.9494 61.0303 63.2779 175.5341 62 R 3.7049 8.8244 122.1414 58.5747 30.4492 177.7546 63 Y 4.1043 7.5672 114.6247 58.3519 40.6101 177.3658 64 W 4.7806 8.1796 119.2267 58.1518 29.9507 173.7303 65 C 5.5800 7.9075 109.7922 53.5965 45.8031 172.1956 66 N 4.9055 8.9353 119.5127 52.0742 39.8201 174.7421 67 D 4.8202 8.5773 122.9605 52.3315 40.6878 177.0970 68 G 4.1863 8.5562 111.7512 45.8236 0.0000 174.7953 69 K 4.3335 7.9137 115.6953 56.7708 33.0638 176.1947 70 T 4.5771 7.6665 117.1924 61.6205 69.4130 172.9015 71 P 4.2663 0.0000 0.0000 63.6498 32.2567 176.4016 72 G 3.9009 8.4373 109.3028 46.7268 0.0000 172.4957 73 A 4.7684 7.6063 117.5645 50.1186 21.8699 177.5596 74 V 4.2812 8.3895 112.7564 59.3487 35.3529 175.9914 75 N 4.9240 8.0885 118.0678 51.7367 37.7642 174.3624 76 A 3.9429 9.1199 125.3391 54.7820 19.0912 178.6181 77 C 4.4995 8.5072 111.5185 57.5398 41.0378 173.0529 78 H 4.0980 7.8063 116.1939 56.7851 26.2897 174.2425 79 L 4.8607 8.2709 117.4112 52.7969 46.4132 176.7852 80 S 4.6372 8.3283 115.2316 58.0583 63.2821 176.0483 81 C 4.1584 8.6312 123.7813 59.5318 40.3970 176.3806 82 S 3.9219 7.7402 114.9749 61.2303 61.6648 175.9007 83 A 4.0195 7.7070 122.3313 54.6205 18.4455 178.5489 84 L 4.4654 7.7729 115.9325 55.0416 41.6240 177.6606 85 L 5.1720 7.5445 117.4237 53.7433 42.2225 176.6793 86 Q 4.3612 7.7528 117.8926 55.4317 29.4759 175.9794 87 D 4.4288 8.4978 119.3928 56.8634 41.1817 176.7124 88 N 4.6374 8.0400 118.2005 53.0245 39.4578 174.6436 89 I 4.2817 8.4272 118.6964 60.9521 38.0594 177.0036 90 A 3.9430 8.5914 125.1662 56.1338 18.1530 180.2678 91 D 4.3050 8.0786 116.3682 57.3851 40.9614 178.6570 92 A 4.0977 7.9989 120.8989 55.1412 18.4035 179.7753 93 V 3.3993 8.1376 116.7406 66.0688 31.5205 178.1598 94 A 3.8476 7.9717 120.5234 55.2203 18.1603 178.7887 95 C 4.2376 8.4362 116.8951 59.5565 38.0137 175.6121 96 A 3.9290 8.0943 122.5633 54.9692 17.5835 179.7755 97 K 3.7980 7.6298 116.3517 59.4181 32.3065 179.2152 98 R 4.0759 7.6105 119.1883 59.3020 29.9962 178.5486 99 V 2.4678 7.4097 117.9632 65.8331 31.1933 177.9554 100 V 3.9275 7.3835 108.1460 62.5941 31.6388 177.7613 101 R 4.2068 7.7154 117.4715 56.7122 30.6568 176.3639 102 D 4.7362 7.3519 119.5058 52.5888 41.9478 175.3330 103 P 4.2349 0.0000 0.0000 66.3192 31.0913 177.8122 104 Q 3.9977 8.1801 117.4422 56.4731 29.9549 177.4062 105 G 3.6610 8.0238 106.9950 46.1115 0.0000 176.1574 106 I 3.5683 7.7761 120.2659 63.4170 37.9850 178.0497 107 R 4.1526 7.2678 117.9024 58.1792 29.9813 177.5693 108 A 4.0291 7.6231 120.7248 54.0967 18.7338 177.4702 109 W 4.7026 8.0126 117.0496 55.3165 29.9624 177.4107 110 V 3.7271 8.7355 123.7858 66.0281 30.8904 177.5510 111 A 4.0472 8.3179 120.1194 54.8682 18.0739 179.2410 112 W 3.9483 8.3820 126.5899 60.7012 30.5907 178.4342 113 R 3.6865 8.1733 116.3972 59.2161 29.6278 178.4321 114 N 4.3794 7.9321 115.4601 55.4925 38.7542 176.8182 115 R 4.1633 7.6125 113.2525 55.9119 30.3741 175.3546 116 C 4.5405 7.1233 115.9910 58.1565 42.7326 174.1994 117 Q 3.1831 6.6602 119.9712 57.2334 28.6726 175.5337 118 N 4.1890 8.6774 120.6235 54.2817 36.1718 173.7415 119 R 4.5153 7.3030 115.6106 54.0395 33.1932 175.6949 120 D 4.5676 8.4210 118.8297 54.0151 40.1455 175.9302 121 V 4.5300 8.1813 118.8619 61.3463 32.5163 178.3495 122 R 4.0330 8.0777 121.7067 59.5722 29.4942 178.4883 123 Q 3.9941 8.2180 116.6653 59.7588 27.9313 178.5678 124 Y 4.0912 7.9857 117.5234 59.8612 38.3054 176.7999 125 V 4.3854 7.8216 110.9536 60.7168 33.2225 175.5539 126 Q 4.1972 7.4566 120.4465 57.2998 28.7407 177.0178 127 G 3.9685 8.9650 110.6753 45.8403 0.0000 174.5154 128 C 4.4057 8.0271 115.9756 57.0006 40.5670 173.9839 129 G 3.8481 8.1649 107.2232 46.7714 0.0000 174.1171 130 V 4.0106 7.8637 118.0471 61.0917 32.1421 175.8239 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 K 8.17 4.15 0.00 1.98 1.62 0.00 1.25 0.00 0.00 0.86 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.84 1.11 7.81 2 V 8.17 4.54 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 0.91 0.00 0.00 0.95 0.00 0.00 3 F 9.98 4.39 0.00 2.86 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 0.00 4 E 8.80 4.35 0.00 1.86 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 2.29 2.38 0.00 5 R 8.85 3.31 0.00 1.92 1.93 0.00 3.36 0.00 0.00 3.46 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 6 C 8.05 4.34 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 7 E 8.13 3.91 0.00 2.06 2.23 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 2.60 2.43 0.00 8 L 7.91 3.58 0.00 1.41 1.40 -0.08 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.85 3.94 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 10 R 8.11 3.92 0.00 1.88 1.99 0.00 3.13 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 11 T 7.83 3.84 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 1.19 0.00 0.00 12 L 8.14 3.88 0.00 1.58 1.59 0.95 0.35 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 13 K 7.97 3.90 0.00 1.96 1.93 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 14 R 7.74 4.04 0.00 2.02 2.04 0.00 3.11 0.00 0.00 3.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.64 0.00 15 L 7.42 4.35 0.00 1.67 1.61 0.87 0.64 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 16 G 7.89 3.85 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 0.00 0.00 0.00 17 M 7.83 3.92 0.00 1.28 1.94 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.23 0.00 18 D 8.01 4.62 0.00 2.67 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 19 G 9.41 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 0.00 0.00 0.00 20 Y 8.37 4.17 0.00 3.33 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 21 R 8.93 3.65 0.00 1.89 1.84 0.00 3.24 0.00 0.00 2.97 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.37 0.00 22 G 8.11 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 0.00 0.00 0.00 23 I 7.54 4.10 1.83 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.57 -0.29 0.00 0.00 24 S 8.31 4.61 0.00 4.06 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 25 L 8.92 4.19 0.00 2.14 1.81 0.98 1.15 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 26 A 8.16 4.18 1.51 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 27 N 8.18 4.45 0.00 2.84 2.74 0.00 0.00 7.03 7.80 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 28 W 8.06 4.27 0.00 3.55 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.42 4.18 0.00 2.18 2.34 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.91 0.00 30 C 8.04 3.17 0.00 2.50 3.13 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 31 L 8.20 4.00 0.00 1.87 1.85 0.57 -0.38 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 32 A 8.22 4.11 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 33 K 8.13 2.79 0.00 1.55 1.77 0.00 0.70 0.00 0.00 1.18 0.00 0.00 2.59 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.03 0.21 7.81 34 W 7.55 4.28 0.00 3.38 3.28 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 35 E 8.34 4.31 0.00 2.01 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 2.59 2.56 0.00 36 S 7.84 4.54 0.00 4.07 4.14 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 0.00 0.00 0.00 37 G 8.01 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 0.00 0.00 0.00 38 Y 7.66 3.67 0.00 3.22 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 39 N 7.59 5.31 0.00 2.86 2.80 0.00 0.00 7.03 7.11 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 T 8.99 4.14 4.45 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 1.50 0.00 0.00 41 R 8.07 4.75 0.00 1.88 2.09 0.00 3.14 0.00 0.00 3.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.79 0.00 42 A 7.79 4.34 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 43 T 8.33 5.12 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 1.33 0.00 0.00 44 N 8.73 4.90 0.00 2.84 2.73 0.00 0.00 6.65 7.61 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 45 Y 8.78 4.49 0.00 3.03 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 46 N 8.45 4.78 0.00 2.64 2.59 0.00 0.00 6.93 7.14 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 47 A 8.13 3.69 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 48 G 7.96 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 49 D 6.95 4.70 0.00 2.76 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 50 R 8.17 3.97 0.00 2.03 2.19 0.00 3.11 0.00 0.00 3.21 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.54 0.00 51 S 7.66 4.99 0.00 3.94 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 52 T 8.76 5.07 4.06 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 0.67 0.00 0.00 53 D 8.89 5.46 0.00 2.71 2.69 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 54 Y 9.03 5.06 0.00 2.96 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 55 G 8.92 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 0.00 0.00 0.00 0.00 56 I 8.20 3.87 1.67 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.78 0.08 0.00 0.00 57 F 7.99 4.69 0.00 3.20 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 58 Q 7.86 3.64 0.00 2.52 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.22 0.00 0.00 0.00 0.00 0.00 2.52 2.71 0.00 59 V 7.97 4.34 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 0.89 0.00 0.00 1.25 0.00 0.00 60 N 9.25 5.32 0.00 3.05 3.10 0.00 0.00 6.96 8.05 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 61 S 9.12 4.52 0.00 4.09 4.45 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 62 R 8.82 3.70 0.00 1.54 1.30 0.00 2.74 0.00 0.00 2.90 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.98 0.00 63 Y 7.57 4.10 0.00 1.43 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 0.00 0.00 0.00 64 W 8.18 4.78 0.00 3.66 3.33 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 65 C 7.91 5.58 0.00 3.12 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 66 N 8.94 4.91 0.00 2.78 2.69 0.00 0.00 7.10 9.18 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 67 D 8.58 4.82 0.00 2.97 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 68 G 8.56 4.19 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 0.00 69 K 7.91 4.33 0.00 1.95 1.95 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.49 7.81 70 T 7.67 4.58 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 1.19 0.00 0.00 71 P 0.00 4.27 0.00 2.02 1.97 0.00 3.81 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 72 G 8.44 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 73 A 7.61 4.77 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 74 V 8.39 4.28 1.98 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 0.62 0.00 0.00 0.84 0.00 0.00 75 N 8.09 4.92 0.00 2.77 2.63 0.00 0.00 6.93 8.45 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 76 A 9.12 3.94 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 77 C 8.51 4.50 0.00 3.32 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 78 H 7.81 4.10 0.00 3.33 3.38 0.00 5.79 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.27 4.86 0.00 1.68 1.50 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.33 4.64 0.00 3.83 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 81 C 8.63 4.16 0.00 2.20 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 82 S 7.74 3.92 0.00 3.81 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 83 A 7.71 4.02 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.77 4.47 0.00 1.92 1.82 1.04 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.54 5.17 0.00 1.76 1.72 1.10 1.20 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 86 Q 7.75 4.36 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 7.41 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 87 D 8.50 4.43 0.00 2.63 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 88 N 8.04 4.64 0.00 2.69 2.74 0.00 0.00 6.95 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 89 I 8.43 4.28 1.79 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.44 0.94 0.00 0.00 90 A 8.59 3.94 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 91 D 8.08 4.30 0.00 2.72 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 92 A 8.00 4.10 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 93 V 8.14 3.40 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 0.70 0.00 0.00 0.88 0.00 0.00 94 A 7.97 3.85 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 95 C 8.44 4.24 0.00 3.14 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 96 A 8.09 3.93 0.75 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 0.00 0.00 97 K 7.63 3.80 0.00 1.63 1.37 0.00 1.30 0.00 0.00 0.83 0.00 0.00 2.26 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.30 1.03 7.81 98 R 7.61 4.08 0.00 1.92 2.14 0.00 3.29 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.97 0.00 99 V 7.41 2.47 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 -0.26 0.00 0.00 -0.58 0.00 0.00 100 V 7.38 3.93 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 1.08 0.00 0.00 1.40 0.00 0.00 101 R 7.72 4.21 0.00 2.08 2.04 0.00 3.23 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.12 0.00 102 D 7.35 4.74 0.00 3.04 2.60 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 0.00 103 P 0.00 4.23 0.00 2.15 2.20 0.00 3.78 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 1.98 2.01 0.00 104 Q 8.18 4.00 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 5.83 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 105 G 8.02 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 0.00 106 I 7.78 3.57 1.01 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 -0.30 -0.36 -0.52 0.00 0.00 107 R 7.27 4.15 0.00 1.97 1.99 0.00 3.27 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.86 0.00 108 A 7.62 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.01 4.70 0.00 3.51 3.25 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 0.00 110 V 8.74 3.73 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 1.09 0.00 0.00 0.99 0.00 0.00 111 A 8.32 4.05 1.51 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 0.00 112 W 8.38 3.95 0.00 3.51 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 0.00 113 R 8.17 3.69 0.00 2.01 1.98 0.00 3.35 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.00 0.00 114 N 7.93 4.38 0.00 2.69 2.69 0.00 0.00 6.88 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 0.00 115 R 7.61 4.16 0.00 0.91 1.00 0.00 2.71 0.00 0.00 2.75 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.50 0.00 116 C 7.12 4.54 0.00 1.74 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 0.00 117 Q 6.66 3.18 0.00 0.93 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.61 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 118 N 8.68 4.19 0.00 2.80 2.82 0.00 0.00 6.87 7.65 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 0.00 119 R 7.30 4.52 0.00 1.79 1.81 0.00 3.25 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 120 D 8.42 4.57 0.00 2.64 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 0.00 121 V 8.18 4.53 2.35 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 0.84 0.00 0.00 1.05 0.00 0.00 122 R 8.08 4.03 0.00 1.99 2.03 0.00 3.35 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 123 Q 8.22 3.99 0.00 2.07 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.03 0.00 0.00 0.00 0.00 0.00 2.22 1.68 0.00 124 Y 7.99 4.09 0.00 3.18 3.15 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 0.00 125 V 7.82 4.39 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 1.01 0.00 0.00 1.06 0.00 0.00 126 Q 7.46 4.20 0.00 1.89 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 5.83 0.00 0.00 0.00 0.00 0.00 2.59 2.46 0.00 127 G 8.97 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 0.00 128 C 8.03 4.41 0.00 3.09 3.14 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 0.00 0.00 0.00 129 G 8.16 3.85 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 0.00 0.00 0.00 130 V 7.86 4.01 2.10 0.00 0.00 0.00 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 0.96 0.00 0.00