NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 N 4.5843 8.4201 119.1906 53.1456 41.2879 175.1115 17 A 4.1119 7.3560 120.1812 53.1364 19.7261 177.7160 18 A 4.1709 8.3017 118.9357 54.8908 19.5365 176.7390 19 D 4.5368 8.0359 114.7016 56.4009 41.7642 177.3436 20 G 4.1157 7.4688 110.8800 45.0744 0.0000 173.1581 21 I 4.3046 8.1664 110.1289 60.8131 39.4314 177.6221 22 F 4.4194 8.0136 119.7667 59.6846 39.0028 177.4978 23 F 4.1460 8.2745 120.1926 60.7948 39.4772 175.2656 24 P 4.1773 0.0000 0.0000 64.9269 30.8683 178.1223 25 A 3.9308 7.2143 119.7921 55.1764 18.4337 179.0854 26 L 4.1869 7.2788 114.9426 57.1857 41.9380 178.8372 27 E 4.1520 8.0023 118.9521 58.4601 29.5275 177.3907 28 Q 4.5280 7.3704 115.2344 55.5048 29.2064 175.0652 29 N 4.6035 7.9152 116.5707 53.0436 39.7066 175.0581 30 M 4.1619 8.5356 121.8475 58.2014 31.6828 176.6152 31 M 4.3894 7.7943 118.4755 54.1507 33.3358 176.9005 32 G 3.8386 8.5543 110.0066 46.8891 0.0000 172.7549 33 A 4.6463 8.2807 122.2312 50.6515 22.2453 175.4974 34 V 4.6658 8.5852 122.7503 62.1485 33.7836 174.0388 35 L 5.6918 8.9462 130.8776 52.8099 44.1530 175.1166 36 I 5.2235 8.4376 118.3631 59.3010 41.3911 175.3587 37 N 4.5940 8.5845 122.2375 51.4986 39.4165 175.2912 38 E 3.9022 8.1112 114.9424 59.4022 28.2256 177.0426 39 N 4.6948 8.0669 116.0343 52.7624 38.9097 174.8201 40 D 4.6172 7.9192 116.0659 55.3213 39.3300 172.6854 41 E 4.8341 7.3714 117.8204 54.4430 31.0797 175.7606 42 V 3.8903 8.3767 124.3682 63.4631 30.9818 175.7450 43 M 4.6266 8.5642 125.1149 55.7348 32.0880 176.0547 44 F 4.9915 7.9428 121.8913 57.2076 43.4311 173.2469 45 F 5.0471 7.7943 125.4088 58.1969 40.4848 172.8992 46 N 4.3054 7.4111 122.6416 51.0122 38.3753 174.5994 47 P 4.3969 0.0000 0.0000 65.3595 30.6958 178.8493 48 A 3.9906 7.9578 119.4162 54.8860 18.4707 179.1387 49 A 4.1150 7.5668 118.6626 54.6361 18.2430 179.6420 50 E 4.8221 7.4199 117.7213 58.8553 29.2542 179.2718 51 K 4.1460 7.8964 117.2680 58.7336 32.4946 178.8663 52 L 4.0212 7.4939 117.7641 57.2025 42.0079 178.7644 53 W 4.5936 8.4876 117.3031 56.1171 29.3270 178.0909 54 G 3.8067 7.8492 105.9450 46.0770 0.0000 172.6537 55 Y 4.8860 7.7828 116.6116 55.8308 39.7161 175.8487 56 K 4.7516 8.4149 121.9834 55.6974 33.2659 178.3821 57 R 4.0738 8.4134 119.3730 59.6840 29.5946 178.6083 58 E 4.0401 8.0924 117.3156 58.9788 29.6296 178.3078 59 E 4.0622 7.7398 116.8182 57.7655 29.7612 177.5020 60 V 3.6646 7.1906 117.6954 63.4195 33.2085 175.6203 61 I 4.0207 7.1371 120.7762 62.2543 37.3027 175.9053 62 G 3.9665 8.7261 113.9105 45.2365 0.0000 173.3814 63 N 4.6550 7.3659 116.8881 51.5196 40.3794 174.1389 64 N 4.8959 8.1275 117.9495 53.2788 39.9086 175.7004 65 I 3.7980 8.1412 121.4489 63.7294 37.9001 177.6852 66 D 4.5257 7.9926 119.6583 56.4409 40.9437 178.1021 67 M 4.0848 7.3601 115.7338 57.7761 31.3008 177.4310 68 L 4.1984 7.3868 116.8118 55.3465 42.2285 176.9261 69 I 4.2190 6.9492 119.1593 59.5292 38.0506 174.1982 70 P 4.4826 0.0000 0.0000 62.6149 31.8689 177.8006 71 R 3.9838 8.4761 117.7337 59.3455 29.1445 178.7337 72 D 4.5448 8.0920 118.0950 54.8525 39.6394 176.9595 73 L 4.5567 7.3339 120.6256 55.0377 40.8836 177.8535 74 R 3.9382 7.6027 117.1875 59.4689 29.7839 176.9369 75 P 4.4014 0.0000 0.0000 64.7048 31.6438 176.8350 76 A 4.1743 7.2752 119.4746 53.0693 20.4306 178.5062 77 H 4.0430 7.7416 115.3961 58.7219 29.7152 175.5890 78 P 4.2758 0.0000 0.0000 65.3176 30.9646 177.9444 79 E 4.1279 7.7939 116.3566 58.4326 29.0984 178.3820 80 Y 4.3770 7.0594 116.0195 61.1558 37.7872 178.2403 81 I 3.6685 7.5891 120.4464 64.2609 37.0743 178.4899 82 R 3.9371 7.8263 119.7572 59.6106 29.7481 178.1134 83 H 4.2568 8.0823 118.3149 59.2289 29.4239 176.8239 84 N 4.3379 7.9911 117.8404 56.4317 38.5165 177.2118 85 R 3.8803 7.6958 119.1930 59.0802 30.3223 178.2643 86 E 4.3058 7.9606 116.8521 58.0471 29.6238 179.2581 87 G 3.6499 7.4842 106.1599 47.5707 0.0000 174.5145 88 G 3.6660 8.1906 113.3988 41.8824 0.0000 173.6805 89 K 3.8646 8.8632 115.4565 56.8968 30.1167 175.5259 90 A 3.6131 9.0091 117.4636 52.7633 16.1530 174.0428 91 R 3.8808 8.2194 127.5002 57.5355 31.9697 177.6542 92 V 4.3523 8.5074 123.4692 64.4985 32.0225 176.9973 93 E 3.2905 7.4526 119.0381 55.2515 33.0210 179.6309 94 G 4.5398 8.1824 120.7416 46.2937 0.0000 172.8790 95 M 4.5737 5.8600 116.5889 54.6036 35.9980 175.3707 96 S 5.0298 8.5430 113.8112 56.6575 65.4505 172.8436 97 R 4.6656 8.5314 120.8942 55.5559 33.4353 173.2510 98 E 5.3739 8.6257 118.9566 54.7236 30.4146 176.1047 99 L 4.9639 8.6801 123.7894 52.7543 45.9225 175.8338 100 Q 3.4652 8.0599 123.9152 54.9740 28.9210 174.8117 101 L 4.1413 8.1433 129.8183 54.6057 43.5140 174.8743 102 E 4.6884 8.6351 126.8624 54.4978 31.1461 175.9806 103 K 4.5361 8.4069 126.9160 55.2913 33.8421 177.7908 104 K 3.6521 7.9580 120.4552 59.7940 31.8428 178.0380 105 D 4.3976 7.7936 115.8430 54.1671 39.6283 176.6387 106 G 4.0661 7.4970 107.7362 45.2970 0.0000 174.4172 107 S 4.4067 7.9030 114.2133 58.3160 64.4639 173.4539 108 K 5.0640 8.4406 119.8672 54.5471 35.1835 175.6209 109 I 4.6375 8.0469 117.2914 58.7999 41.2415 174.5713 110 W 4.8556 8.6804 123.4747 56.4992 31.1319 175.6748 111 T 5.2156 8.6258 112.3088 60.6717 72.0238 172.4448 112 R 4.8541 8.6425 120.8792 55.1694 31.7718 175.1101 113 F 4.4813 9.3195 124.6342 57.0389 40.6601 175.0480 114 A 5.0728 8.3753 121.5204 50.4034 18.2388 174.9790 115 L 4.5299 8.6527 124.4725 54.8395 44.1345 176.2229 116 S 5.0433 8.9767 120.1074 56.7390 67.9331 172.6304 117 K 4.9953 8.7989 122.8179 54.6555 34.0590 175.6325 118 V 4.3068 8.1192 127.0042 59.8520 33.6188 174.7672 119 S 4.9772 8.8792 122.2395 57.3642 63.6667 174.2558 120 A 4.4061 8.5215 127.1580 51.9937 21.5925 175.6824 121 E 3.6554 9.6078 122.2473 57.5959 26.7082 175.6693 122 G 3.8792 8.5240 104.7090 45.6722 0.0000 173.8391 123 K 4.4900 7.6385 119.3832 54.3928 34.7044 174.6964 124 V 4.4371 7.7677 118.9809 61.5706 33.6751 173.8595 125 Y 4.9346 8.2111 123.2555 56.6585 42.9263 173.8477 126 Y 5.4394 8.6103 116.8722 57.0743 42.6246 174.2516 127 L 5.0527 9.0095 126.8019 53.4598 44.0787 174.8638 128 A 4.8611 8.7497 129.6088 50.6734 20.5336 175.6777 129 L 4.8276 8.2663 122.3456 54.3488 43.1627 176.4242 130 V 4.4655 8.3922 123.7227 60.1340 34.7030 174.4097 131 R 4.8262 7.9345 120.8803 54.5224 33.4537 173.0744 132 D 4.7845 8.5960 119.5971 53.4817 41.8568 175.9742 133 A 4.9684 8.4058 129.1520 51.6676 18.7606 176.0993 134 S 4.3720 7.8636 119.2600 59.2177 63.2208 174.0808 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 16 N 8.42 4.58 0.00 2.64 2.78 0.00 0.00 6.93 7.08 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 17 A 7.36 4.11 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 18 A 8.30 4.17 1.11 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 19 D 8.04 4.54 0.00 2.67 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 20 G 7.47 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 0.00 0.00 0.00 21 I 8.17 4.30 1.52 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 -0.35 0.78 0.00 0.00 22 F 8.01 4.42 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 23 F 8.27 4.15 0.00 3.07 3.26 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 24 P 0.00 4.18 0.00 2.31 2.38 0.00 3.81 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 25 A 7.21 3.93 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 26 L 7.28 4.19 0.00 1.48 1.75 0.76 0.91 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 27 E 8.00 4.15 0.00 1.20 1.58 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 0.00 2.13 2.28 0.00 28 Q 7.37 4.53 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.65 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 29 N 7.92 4.60 0.00 2.91 2.89 0.00 0.00 7.19 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 30 M 8.54 4.16 0.00 2.14 2.16 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 2.54 2.55 0.00 31 M 7.79 4.39 0.00 1.96 2.00 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 2.56 2.51 0.00 32 G 8.55 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 0.00 0.00 0.00 33 A 8.28 4.65 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.59 4.67 2.27 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 1.00 0.00 0.00 1.01 0.00 0.00 35 L 8.95 5.69 0.00 1.98 1.74 1.01 0.69 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 36 I 8.44 5.22 1.98 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.22 1.00 0.00 0.00 37 N 8.58 4.59 0.00 2.74 3.14 0.00 0.00 6.66 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 38 E 8.11 3.90 0.00 1.97 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 2.11 2.24 0.00 39 N 8.07 4.69 0.00 2.93 2.82 0.00 0.00 7.17 8.08 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 40 D 7.92 4.62 0.00 3.06 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 41 E 7.37 4.83 0.00 2.21 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 2.23 2.41 0.00 42 V 8.38 3.89 2.15 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 1.04 0.00 0.00 0.82 0.00 0.00 43 M 8.56 4.63 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.67 0.00 44 F 7.94 4.99 0.00 3.16 2.99 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 45 F 7.79 5.05 0.00 2.85 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 46 N 7.41 4.31 0.00 2.79 2.50 0.00 0.00 6.13 7.76 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 47 P 0.00 4.40 0.00 2.13 2.12 0.00 3.67 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 48 A 7.96 3.99 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 49 A 7.57 4.12 0.66 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 50 E 7.42 4.82 0.00 2.29 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 2.75 2.40 0.00 51 K 7.90 4.15 0.00 1.69 1.84 0.00 1.65 0.00 0.00 1.86 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.58 7.81 52 L 7.49 4.02 0.00 1.53 1.31 0.77 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 53 W 8.49 4.59 0.00 4.10 3.40 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 54 G 7.85 3.81 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 0.00 0.00 0.00 55 Y 7.78 4.89 0.00 3.15 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 56 K 8.41 4.75 0.00 1.97 1.79 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.49 7.81 57 R 8.41 4.07 0.00 2.21 1.98 0.00 3.11 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 58 E 8.09 4.04 0.00 1.96 1.99 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 2.32 2.47 0.00 59 E 7.74 4.06 0.00 1.98 1.83 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 0.00 2.34 2.33 0.00 60 V 7.19 3.66 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 0.15 0.00 0.00 -0.05 0.00 0.00 61 I 7.14 4.02 1.84 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 1.35 0.94 0.93 0.00 0.00 62 G 8.73 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 63 N 7.37 4.66 0.00 2.66 2.60 0.00 0.00 6.46 6.81 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 64 N 8.13 4.90 0.00 2.75 2.63 0.00 0.00 6.51 7.82 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 65 I 8.14 3.80 1.89 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 1.36 1.07 0.93 0.00 0.00 66 D 7.99 4.53 0.00 2.71 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 67 M 7.36 4.08 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.46 0.00 68 L 7.39 4.20 0.00 1.57 1.26 0.37 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 6.95 4.22 1.96 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 1.43 0.61 0.86 0.00 0.00 70 P 0.00 4.48 0.00 2.28 1.94 0.00 3.59 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 71 R 8.48 3.98 0.00 2.07 2.20 0.00 2.77 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.63 0.00 72 D 8.09 4.54 0.00 2.85 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 73 L 7.33 4.56 0.00 1.66 1.66 1.05 1.08 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 74 R 7.60 3.94 0.00 2.12 1.94 0.00 3.18 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.82 0.00 75 P 0.00 4.40 0.00 1.99 2.08 0.00 3.56 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 76 A 7.28 4.17 1.07 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 77 H 7.74 4.04 0.00 3.39 3.27 0.00 5.60 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.28 0.00 2.13 2.06 0.00 3.44 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.48 0.00 79 E 7.79 4.13 0.00 1.91 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 2.32 2.29 0.00 80 Y 7.06 4.38 0.00 2.96 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 81 I 7.59 3.67 1.85 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 1.22 1.28 0.97 0.00 0.00 82 R 7.83 3.94 0.00 1.99 1.94 0.00 3.09 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 1.65 1.65 0.00 83 H 8.08 4.26 0.00 3.29 3.49 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.99 4.34 0.00 2.93 2.87 0.00 0.00 7.23 7.53 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 85 R 7.70 3.88 0.00 1.98 2.02 0.00 3.28 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.04 0.00 86 E 7.96 4.31 0.00 1.90 2.02 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 2.51 2.48 0.00 87 G 7.48 3.65 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 0.00 0.00 0.00 88 G 8.19 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 89 K 8.86 3.86 0.00 1.94 1.94 0.00 1.90 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.42 7.81 90 A 9.01 3.61 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 91 R 8.22 3.88 0.00 1.90 1.96 0.00 3.29 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 92 V 8.51 4.35 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 0.73 0.00 0.00 0.95 0.00 0.00 93 E 7.45 3.29 0.00 2.09 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 0.00 2.30 2.48 0.00 94 G 8.18 4.54 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 0.00 95 M 5.86 4.57 0.00 2.25 2.15 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 2.44 2.44 0.00 96 S 8.54 5.03 0.00 3.90 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 97 R 8.53 4.67 0.00 1.93 2.01 0.00 2.98 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 98 E 8.63 5.37 0.00 1.92 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 0.00 2.34 2.20 0.00 99 L 8.68 4.96 0.00 1.27 1.27 0.34 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 8.06 3.47 0.00 0.93 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.94 0.00 0.00 0.00 0.00 0.00 1.73 1.16 0.00 101 L 8.14 4.14 0.00 1.65 1.37 -0.44 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 102 E 8.64 4.69 0.00 1.97 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 2.22 2.28 0.00 103 K 8.41 4.54 0.00 1.97 1.75 0.00 1.66 0.00 0.00 1.52 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.40 7.81 104 K 7.96 3.65 0.00 0.79 1.49 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.38 1.38 7.81 105 D 7.79 4.40 0.00 2.80 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 0.00 106 G 7.50 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 0.00 107 S 7.90 4.41 0.00 3.89 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 0.00 108 K 8.44 5.06 0.00 1.51 1.49 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.20 1.32 7.81 109 I 8.05 4.64 1.84 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 1.09 0.59 0.87 0.00 0.00 110 W 8.68 4.86 0.00 3.34 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 0.00 111 T 8.63 5.22 4.38 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 1.12 0.00 0.00 112 R 8.64 4.85 0.00 1.98 1.83 0.00 3.18 0.00 0.00 3.20 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 113 F 9.32 4.48 0.00 3.04 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 0.00 114 A 8.38 5.07 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 0.00 115 L 8.65 4.53 0.00 1.93 1.65 1.09 0.85 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 0.00 116 S 8.98 5.04 0.00 3.79 3.73 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 0.00 117 K 8.80 5.00 0.00 2.07 1.72 0.00 1.83 0.00 0.00 1.78 0.00 0.00 2.77 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.18 1.09 7.81 118 V 8.12 4.31 2.04 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 0.72 0.00 0.00 0.81 0.00 0.00 119 S 8.88 4.98 0.00 3.77 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 0.00 120 A 8.52 4.41 1.04 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 0.00 121 E 9.61 3.66 0.00 2.21 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 0.00 2.21 2.29 0.00 122 G 8.52 3.88 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 0.00 0.00 0.00 123 K 7.64 4.49 0.00 1.96 1.46 0.00 1.68 0.00 0.00 1.48 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.34 7.81 124 V 7.77 4.44 1.93 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 0.42 0.00 0.00 0.86 0.00 0.00 125 Y 8.21 4.93 0.00 2.91 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 0.00 126 Y 8.61 5.44 0.00 3.00 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 0.00 127 L 9.01 5.05 0.00 1.82 1.61 1.04 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 128 A 8.75 4.86 1.59 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 0.00 129 L 8.27 4.83 0.00 1.67 1.60 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 130 V 8.39 4.47 1.71 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 0.50 0.00 0.00 -0.10 0.00 0.00 131 R 7.93 4.83 0.00 1.82 1.91 0.00 3.00 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 132 D 8.60 4.78 0.00 2.68 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 0.00 133 A 8.41 4.97 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 0.00 134 S 7.86 4.37 0.00 4.10 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