NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.4551 8.3649 120.1970 52.9205 42.3762 181.0968 2 C 3.8636 9.0911 116.7705 56.1078 40.3045 169.9391 3 L 4.7492 8.5484 120.0542 53.1079 44.9356 175.5511 4 S 4.3963 8.5564 116.5062 61.7045 62.7733 173.4120 5 G 4.0019 9.0402 117.4024 45.6446 0.0000 173.7240 6 W 4.7354 8.5332 120.4994 56.1911 29.9459 176.6603 7 S 4.9506 9.4773 121.5306 57.5981 64.4036 173.9542 8 S 5.2618 8.7764 119.1747 58.5735 64.4476 173.5322 9 Y 3.9444 9.3497 121.3744 58.4628 42.0258 174.9180 10 E 3.5634 9.0131 129.2705 57.4920 26.7988 175.6925 11 G 3.8666 8.2301 102.7481 46.2118 0.0000 171.6746 12 H 5.0675 8.3460 115.6317 54.0537 34.0661 171.5616 13 C 5.8223 9.3501 116.5495 55.7413 41.2167 173.2437 14 Y 5.9989 9.8605 120.4475 55.3991 42.1089 174.6397 15 K 4.3965 7.9366 121.7698 54.8852 35.6353 174.4099 16 A 4.7305 8.1621 129.3037 51.0462 20.1740 176.1545 17 F 4.3013 9.0243 121.1031 55.0111 41.8806 176.0376 18 E 4.2940 8.5007 123.4240 56.3906 30.1468 175.7058 19 K 4.5717 7.7735 118.6121 55.5332 34.1337 175.8780 20 Y 4.6975 9.0688 123.6057 57.2323 37.8333 174.5347 21 K 4.8473 9.0003 123.5675 54.5271 36.7162 175.5514 22 T 5.5508 8.2966 116.4290 61.9649 69.9544 175.9595 23 W 2.8835 7.9982 134.5010 60.3167 30.3900 178.2841 24 E 4.0285 8.2174 116.8054 59.7188 28.8141 178.4709 25 D 4.2595 7.7197 118.5250 56.1709 41.0960 178.5367 26 A 2.7942 7.5931 122.0992 54.5360 18.2036 179.2071 27 E 3.2930 7.1698 117.7894 58.9282 29.5317 178.8687 28 R 3.7235 7.1367 119.9529 58.7149 30.0473 178.3454 29 V 3.7224 7.3708 119.1812 65.7280 30.9654 177.2166 30 C 4.2352 7.7599 116.1146 60.3447 38.2264 176.3785 31 T 3.6340 7.7687 111.2813 64.7280 68.0805 176.7408 32 E 4.0560 8.1347 121.4792 59.0511 29.2609 178.9427 33 Q 4.2558 8.3577 118.9818 58.7288 29.5182 174.8264 34 A 4.2827 7.4900 120.9316 50.9963 22.5285 175.5703 35 K 4.2905 8.2057 117.4501 58.1515 29.8221 176.6758 36 G 3.7366 7.9821 114.6176 47.2648 0.0000 171.4606 37 A 4.5440 7.4114 120.4338 52.3155 19.7840 177.0499 38 H 4.7526 8.9387 115.1979 54.5263 34.0673 173.0482 39 L 4.6078 8.2570 119.4026 54.5490 42.1185 178.1777 40 V 4.0529 8.7448 122.9123 62.5108 32.4648 175.3694 41 S 4.7806 8.9095 117.8115 56.5261 64.0851 174.0173 42 I 4.2421 8.3290 127.3534 60.7919 36.6030 175.4068 43 E 4.7467 9.0128 124.6943 55.6728 30.3057 176.4796 44 S 4.6807 7.4775 113.1212 56.5997 66.4317 176.4922 45 S 4.3118 8.5177 117.9493 61.4120 62.7757 176.7766 46 G 3.6748 8.1275 109.1105 47.7190 0.0000 175.1924 47 E 3.5313 8.1278 121.0833 58.6447 29.7635 178.6218 48 A 4.0928 8.1234 120.9734 55.3410 18.3585 179.4185 49 D 4.2813 8.3557 117.4485 57.3254 40.8411 178.5008 50 F 3.9084 7.9968 121.1861 61.4411 39.1722 177.3085 51 V 3.1514 7.8694 117.6317 65.7187 31.2444 177.8043 52 A 3.9341 7.7843 120.1487 55.1790 18.1832 179.3790 53 Q 3.7466 8.1161 118.3645 59.0111 29.0930 178.1321 54 L 3.5556 7.5670 121.6142 58.0018 41.8447 178.9975 55 V 3.3027 7.6314 118.6053 66.1638 31.1417 178.1234 56 T 3.6953 7.1496 107.9900 64.6364 68.7173 176.0737 57 Q 4.0027 7.9306 121.6989 58.4915 29.2433 177.0912 58 N 4.6419 7.7279 113.6544 52.2993 39.3267 174.5621 59 M 4.7931 6.7686 119.0591 53.0729 34.0045 175.3380 60 K 3.9700 8.6499 125.3544 58.0821 33.2259 177.7686 61 R 4.4535 8.2693 125.6356 55.2708 29.0796 176.4827 62 L 4.6926 8.2539 123.9683 55.2031 41.8236 177.2329 63 D 4.8706 7.9804 116.4808 53.0990 39.6710 175.3650 64 F 4.6447 7.9447 118.2819 57.0919 42.8077 173.1223 65 Y 4.9752 8.5232 117.8680 56.9629 39.8919 175.4540 66 I 4.5599 8.7350 123.6364 58.6417 40.2501 174.7733 67 W 5.2440 8.8487 130.4259 57.3990 29.9170 175.4060 68 I 4.8030 8.7337 117.0903 58.4698 40.8049 175.6944 69 G 4.0826 9.1081 110.3550 45.8997 0.0000 172.8843 70 L 4.7448 7.5557 122.7657 52.9636 44.0230 175.5960 71 R 4.3386 7.9451 120.9747 54.9745 32.6731 174.0527 72 V 3.7924 7.6772 120.0392 62.0851 31.9624 175.2967 73 Q 3.9375 8.4862 129.7620 56.4742 29.7159 175.6047 74 G 3.7861 8.7164 112.7244 45.9667 0.0000 173.8796 75 K 4.1573 8.2022 123.4319 55.7520 30.6717 176.3544 76 V 4.4593 7.5466 115.3924 59.2167 35.3856 176.4452 77 K 3.7494 8.5646 122.7926 58.3987 32.3963 177.3256 78 Q 4.4341 7.3802 113.1269 54.8409 31.4483 174.1306 79 C 4.3948 8.4208 115.2037 59.7988 29.4750 173.5369 80 N 4.5246 7.9462 118.8891 52.9986 38.5977 174.4935 81 S 4.5145 8.5775 121.1490 58.8094 63.5138 173.5469 82 E 5.1961 8.0302 119.7535 54.1630 32.5932 175.8039 83 W 4.5546 9.1971 123.1485 55.7253 30.1335 177.7607 84 S 4.2884 8.9854 114.7644 61.1471 62.9965 174.7159 85 D 4.6705 8.2327 122.1669 53.8594 38.8538 176.6094 86 G 4.0510 7.8339 102.5508 47.4236 0.0000 173.5813 87 S 4.4358 8.2528 114.4643 57.9593 63.8560 173.5758 88 S 4.8086 8.4882 118.4109 57.8455 63.3260 174.4118 89 V 3.9744 8.6292 126.2976 63.3079 30.4840 174.5214 90 S 4.6439 8.5979 119.6890 59.9426 65.0091 173.7523 91 Y 4.3497 8.0324 122.8932 56.2199 39.2778 174.6256 92 E 4.4028 7.9970 123.7418 54.6676 33.1069 174.8551 93 N 4.8747 7.6623 117.2034 52.3320 39.1374 174.7450 94 W 4.2584 8.3295 117.9983 56.6708 30.3164 176.6451 95 I 4.1831 8.4262 122.9868 60.1792 37.0140 176.3339 96 E 3.7612 9.0853 126.7120 59.3486 29.3890 178.3015 97 A 2.7293 7.4913 118.7119 53.0555 18.7144 177.6447 98 E 4.1820 8.4624 114.8090 57.5700 29.8757 177.4597 99 S 4.1225 7.3041 114.7302 57.3697 61.7223 174.1434 100 K 4.4701 8.0330 127.5874 55.3935 30.6572 176.6781 101 T 4.4020 7.6563 108.4154 61.4498 70.5988 175.5851 102 C 5.0557 8.1613 119.3437 55.3502 40.1039 172.7688 103 L 5.5369 8.2327 119.0925 53.4564 45.0805 175.8691 104 G 4.3639 9.0275 107.7246 45.5258 0.0000 171.5923 105 L 5.5638 9.1386 120.5369 53.4088 44.4598 175.7205 106 E 4.6624 8.1957 117.4984 54.6669 33.0535 176.0148 107 K 2.8811 8.1767 121.3773 59.3187 32.5342 178.1954 108 E 3.8246 8.1249 118.1578 59.3403 29.4797 177.9820 109 T 4.4265 7.6393 107.2532 62.1117 69.4397 174.0885 110 D 4.4962 8.6904 118.8309 56.5894 39.1135 173.9543 111 F 3.9281 7.6231 112.6334 58.5449 37.2039 176.6438 112 R 4.6261 8.1923 119.5040 55.8938 31.9881 176.3652 113 K 4.4467 7.8872 115.9154 54.2507 34.4137 175.1181 114 W 5.2496 8.2974 121.2256 55.7258 30.5077 176.1029 115 V 4.5640 9.0684 118.3591 59.5132 34.2488 174.7645 116 N 5.2754 8.6985 121.8741 53.0445 39.3269 174.5622 117 I 4.7073 9.2122 116.8030 58.8248 42.0654 173.8927 118 Y 4.7789 8.6857 124.7626 58.1173 39.0039 177.8120 119 C 4.1593 9.0137 123.9508 59.5227 40.4924 175.3719 120 G 3.2311 5.3800 106.1310 46.0851 0.0000 173.5916 121 Q 4.4588 7.8739 119.6577 56.2679 30.4121 175.3732 122 Q 5.0679 8.7352 119.1405 54.6416 30.9202 174.9429 123 N 4.8089 9.5148 121.3947 50.3828 43.8624 172.5163 124 P 5.0095 0.0000 0.0000 62.4864 33.5620 174.2202 125 F 5.1807 8.0813 114.0153 56.1396 41.9237 173.0176 126 V 4.8830 8.4412 117.5497 61.5296 34.5706 173.8877 127 C 5.5379 9.4142 124.9997 55.7005 44.7387 172.2541 128 E 5.3830 9.4696 120.6699 54.8956 33.4505 174.9165 129 A 4.3833 9.2546 127.2673 52.2093 19.6030 175.7276 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 D 8.36 4.46 0.00 2.63 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 0.00 0.00 0.00 2 C 9.09 3.86 0.00 3.42 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.55 4.75 0.00 1.51 1.48 0.78 0.18 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 4 S 8.56 4.40 0.00 3.90 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 5 G 9.04 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 6 W 8.53 4.74 0.00 3.29 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 7 S 9.48 4.95 0.00 4.06 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 8 S 8.78 5.26 0.00 3.84 3.84 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 9 Y 9.35 3.94 0.00 1.43 2.54 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 10 E 9.01 3.56 0.00 1.58 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 1.89 1.47 0.00 11 G 8.23 3.87 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 0.00 0.00 0.00 12 H 8.35 5.07 0.00 3.32 2.87 0.00 5.56 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 C 9.35 5.82 0.00 2.91 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 14 Y 9.86 6.00 0.00 3.06 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 15 K 7.94 4.40 0.00 0.79 0.74 0.00 0.72 0.00 0.00 0.83 0.00 0.00 2.13 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.30 0.63 7.81 16 A 8.16 4.73 0.98 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 0.00 0.00 17 F 9.02 4.30 0.00 1.51 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 0.00 0.00 0.00 0.00 18 E 8.50 4.29 0.00 1.90 2.01 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 2.14 2.18 0.00 19 K 7.77 4.57 0.00 1.98 1.91 0.00 1.88 0.00 0.00 2.06 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.58 1.59 7.81 20 Y 9.07 4.70 0.00 2.70 2.92 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 21 K 9.00 4.85 0.00 1.69 1.67 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.60 7.81 22 T 8.30 5.55 4.41 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 1.32 0.00 0.00 23 W 8.00 2.88 0.00 2.09 2.62 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 24 E 8.22 4.03 0.00 2.22 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 0.00 2.30 2.32 0.00 25 D 7.72 4.26 0.00 2.72 2.64 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 26 A 7.59 2.79 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.17 3.29 0.00 1.16 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 28 R 7.14 3.72 0.00 1.92 1.90 0.00 3.17 0.00 0.00 3.10 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.46 0.00 29 V 7.37 3.72 1.89 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 1.01 0.00 0.00 0.92 0.00 0.00 30 C 7.76 4.24 0.00 3.04 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 T 7.77 3.63 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 1.08 0.00 0.00 32 E 8.13 4.06 0.00 2.18 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 2.29 2.51 0.00 33 Q 8.36 4.26 0.00 2.34 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.60 0.00 0.00 0.00 0.00 0.00 3.36 2.93 0.00 34 A 7.49 4.28 0.68 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 35 K 8.21 4.29 0.00 1.79 1.77 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.73 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.22 1.33 7.81 36 G 7.98 3.74 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 0.00 0.00 0.00 37 A 7.41 4.54 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.94 4.75 0.00 3.05 3.14 0.00 5.62 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.26 4.61 0.00 1.30 1.58 -0.24 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.74 4.05 2.37 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 0.87 0.00 0.00 1.25 0.00 0.00 41 S 8.91 4.78 0.00 4.01 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 42 I 8.33 4.24 2.39 0.00 0.00 1.00 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 1.08 1.22 0.00 0.00 43 E 9.01 4.75 0.00 2.03 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 2.33 2.48 0.00 44 S 7.48 4.68 0.00 4.07 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 45 S 8.52 4.31 0.00 4.09 4.18 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 46 G 8.13 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 0.00 0.00 0.00 0.00 47 E 8.13 3.53 0.00 2.20 2.19 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 2.35 2.23 0.00 48 A 8.12 4.09 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.36 4.28 0.00 2.89 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 50 F 8.00 3.91 0.00 2.42 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 51 V 7.87 3.15 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 1.02 0.00 0.00 0.94 0.00 0.00 52 A 7.78 3.93 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.12 3.75 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 54 L 7.57 3.56 0.00 1.03 1.43 0.69 0.67 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 55 V 7.63 3.30 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.80 0.00 0.00 56 T 7.15 3.70 4.13 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 1.01 0.00 0.00 57 Q 7.93 4.00 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 58 N 7.73 4.64 0.00 2.52 2.66 0.00 0.00 6.92 7.26 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 59 M 6.77 4.79 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 60 K 8.65 3.97 0.00 1.68 2.05 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.42 7.81 61 R 8.27 4.45 0.00 2.18 2.41 0.00 3.49 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 62 L 8.25 4.69 0.00 1.72 1.94 0.66 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.98 4.87 0.00 2.51 2.62 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 64 F 7.94 4.64 0.00 2.90 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 65 Y 8.52 4.98 0.00 2.79 2.59 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 66 I 8.74 4.56 1.89 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 1.32 1.61 1.20 0.00 0.00 67 W 8.85 5.24 0.00 3.32 2.82 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 68 I 8.73 4.80 1.74 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.95 0.95 0.00 0.00 69 G 9.11 4.08 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 0.00 0.00 0.00 70 L 7.56 4.74 0.00 1.44 1.23 0.85 0.62 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 71 R 7.95 4.34 0.00 1.16 0.81 0.00 2.21 0.00 0.00 2.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.10 0.00 72 V 7.68 3.79 1.89 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 0.60 0.00 0.00 0.80 0.00 0.00 73 Q 8.49 3.94 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.13 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 74 G 8.72 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 75 K 8.20 4.16 0.00 1.70 1.74 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.35 7.81 76 V 7.55 4.46 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 0.68 0.00 0.00 0.86 0.00 0.00 77 K 8.56 3.75 0.00 1.43 0.84 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.32 7.81 78 Q 7.38 4.43 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 79 C 8.42 4.39 0.00 2.92 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 80 N 7.95 4.52 0.00 2.65 2.67 0.00 0.00 7.03 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.58 4.51 0.00 3.92 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 82 E 8.03 5.20 0.00 1.95 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 2.40 2.26 0.00 83 W 9.20 4.55 0.00 3.44 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.99 4.29 0.00 4.04 4.10 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 85 D 8.23 4.67 0.00 2.92 2.90 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 86 G 7.83 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 87 S 8.25 4.44 0.00 4.11 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 88 S 8.49 4.81 0.00 3.97 3.91 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 89 V 8.63 3.97 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 0.64 0.00 0.00 0.24 0.00 0.00 90 S 8.60 4.64 0.00 4.10 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 91 Y 8.03 4.35 0.00 2.99 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 92 E 8.00 4.40 0.00 2.07 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 2.22 2.28 0.00 93 N 7.66 4.87 0.00 2.30 2.57 0.00 0.00 7.07 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 94 W 8.33 4.26 0.00 3.28 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 95 I 8.43 4.18 1.93 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 1.32 0.86 0.91 0.00 0.00 96 E 9.09 3.76 0.00 1.95 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 2.41 2.32 0.00 97 A 7.49 2.73 0.77 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 98 E 8.46 4.18 0.00 2.36 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 99 S 7.30 4.12 0.00 3.84 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.03 4.47 0.00 1.74 1.78 0.00 1.79 0.00 0.00 1.83 0.00 0.00 3.11 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.60 1.39 7.81 101 T 7.66 4.40 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 1.03 0.00 0.00 102 C 8.16 5.06 0.00 3.02 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 0.00 103 L 8.23 5.54 0.00 1.83 1.54 0.97 0.98 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 0.00 104 G 9.03 4.36 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 0.00 105 L 9.14 5.56 0.00 1.91 1.84 1.10 1.20 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 0.00 106 E 8.20 4.66 0.00 1.74 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 0.00 2.31 2.19 0.00 107 K 8.18 2.88 0.00 1.85 1.64 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.44 0.00 0.00 0.00 0.00 1.41 1.42 7.81 108 E 8.12 3.82 0.00 1.87 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 2.27 2.28 0.00 109 T 7.64 4.43 4.21 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 1.19 0.00 0.00 110 D 8.69 4.50 0.00 2.76 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 0.00 111 F 7.62 3.93 0.00 3.19 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 R 8.19 4.63 0.00 1.80 1.96 0.00 3.18 0.00 0.00 3.35 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.83 0.00 113 K 7.89 4.45 0.00 1.70 1.68 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.20 1.32 7.81 114 W 8.30 5.25 0.00 3.29 3.01 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 0.00 115 V 9.07 4.56 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 0.99 0.00 0.00 0.92 0.00 0.00 116 N 8.70 5.28 0.00 2.60 2.94 0.00 0.00 6.72 7.45 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 0.00 117 I 9.21 4.71 1.89 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.94 -0.02 0.00 0.00 118 Y 8.69 4.78 0.00 3.27 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 C 9.01 4.16 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 0.00 120 G 5.38 3.23 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 0.00 121 Q 7.87 4.46 0.00 2.35 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.68 0.00 0.00 0.00 0.00 0.00 2.60 2.60 0.00 122 Q 8.74 5.07 0.00 2.05 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 123 N 9.51 4.81 0.00 1.44 2.35 0.00 0.00 6.36 7.84 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 0.00 124 P 0.00 5.01 0.00 1.83 1.62 0.00 3.47 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.34 0.00 125 F 8.08 5.18 0.00 3.12 3.31 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 0.00 126 V 8.44 4.88 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 1.21 0.00 0.00 0.89 0.00 0.00 127 C 9.41 5.54 0.00 2.73 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 0.00 128 E 9.47 5.38 0.00 2.00 1.75 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 1.99 1.47 0.00 129 A 9.25 4.38 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00