NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6567 8.1633 120.2828 55.3263 34.6832 173.1248 2 I 5.0450 8.6404 119.1628 59.1420 41.0753 172.9989 3 L 5.0242 9.5129 130.6556 53.3028 44.6624 174.6828 4 L 4.7430 8.3830 126.8251 53.6667 42.2697 176.5282 5 D 4.5197 9.0001 124.6394 54.4462 41.8197 177.1600 6 T 3.9361 8.9630 119.8899 67.0878 68.2242 176.3766 7 N 4.4805 8.1721 116.8412 55.8636 37.5734 177.1336 8 V 3.8764 7.8155 120.0214 65.9685 31.7451 177.6872 9 I 3.9081 7.5654 116.2791 62.8975 37.9422 176.6021 10 S 4.7008 7.6609 112.3532 58.3079 63.6043 175.4376 11 E 4.0269 8.1328 124.3051 59.3881 29.2818 176.6319 12 P 4.3591 0.0000 0.0000 65.6876 31.3538 177.9650 13 L 4.2398 7.5575 116.6010 55.9413 41.9666 177.7725 14 R 4.0923 7.5089 117.6598 55.4960 30.2380 174.2829 15 P 4.1609 0.0000 0.0000 65.5821 31.9966 177.3933 16 Q 4.5342 7.5115 117.8019 53.0648 27.6660 173.1382 17 P 4.3093 0.0000 0.0000 63.9591 32.1765 177.0104 18 N 4.4308 8.8595 119.9521 53.4928 39.6093 175.8261 19 E 4.0004 8.8287 128.1884 59.3671 29.4883 179.2422 20 R 3.8615 7.9512 118.6146 59.2389 30.1990 178.5319 21 V 3.5585 7.8199 118.2116 65.4735 31.3851 178.3262 22 V 3.5040 7.5635 117.4537 66.0526 31.2578 177.8956 23 A 4.0398 7.9883 119.2098 54.9044 18.4307 179.1117 24 W 4.2684 8.1485 126.8745 60.5689 30.5657 178.3833 25 L 3.7665 8.1793 118.9196 57.6160 40.7895 178.9501 26 D 4.3850 7.8201 117.9258 56.1162 40.9155 177.7748 27 S 4.3405 7.4566 113.0205 57.9988 63.8107 174.3098 28 L 3.9923 6.3732 122.4791 54.2143 42.1614 177.1549 29 I 4.0635 7.8620 122.3351 59.9971 36.4985 177.2233 30 L 3.6363 7.7628 127.9532 57.8976 42.7880 178.8154 31 E 4.0162 8.0130 115.1291 58.0379 29.5418 176.8795 32 D 4.9187 9.2107 119.0800 53.7281 42.0852 175.0664 33 V 5.0241 7.6508 120.3459 61.6002 33.2023 174.4465 34 Y 5.1308 9.6050 124.6495 56.3746 42.1744 174.1669 35 L 4.9302 8.6303 117.9592 53.5090 46.6189 175.6267 36 S 5.0624 8.6066 116.1820 56.9612 64.0180 174.5728 37 A 3.8970 8.7840 128.7389 55.6274 18.1211 180.1643 38 I 3.5543 7.7764 117.4279 65.0536 37.2846 178.5781 39 T 3.9092 7.7969 115.8120 66.7096 68.3662 176.8466 40 V 3.6021 8.5756 120.3822 65.6329 31.3585 178.0309 41 A 3.9853 8.4593 121.2433 55.2001 18.1661 179.5020 42 E 3.9351 8.1302 116.6612 59.4541 29.4656 179.3754 43 M 4.0403 8.0995 118.8912 58.6030 32.1284 178.8767 44 R 3.9152 7.9639 117.9832 59.2836 30.2404 178.9558 45 L 4.0737 8.3156 120.4230 58.0173 41.8457 179.0065 46 G 3.7399 8.1909 105.2184 48.1086 0.0000 175.4422 47 V 3.7783 7.4424 118.7916 65.5080 31.9059 177.7418 48 A 4.2217 8.0635 120.7501 54.8520 17.9137 178.8911 49 L 4.3411 7.8236 114.3445 54.4375 41.9133 176.5950 50 L 4.6396 7.0130 118.7713 52.5365 43.2868 176.5948 51 L 3.9707 8.5203 122.5184 54.9399 41.8618 176.7946 52 N 4.0142 8.5328 120.3358 53.2807 38.9368 174.6078 53 G 3.9171 8.1702 110.3459 44.2635 0.0000 173.1775 54 K 3.8944 8.2416 119.1453 59.8246 31.7477 177.7650 55 K 3.7620 8.1672 118.8407 59.7221 31.9044 178.0022 56 K 3.8740 7.9868 118.6575 59.7953 32.2564 178.2600 57 N 4.2945 8.9891 117.5553 56.4759 38.4863 177.6222 58 V 3.6118 8.3363 119.7841 65.7225 31.6098 177.6384 59 L 3.9329 8.2327 120.5634 58.4877 41.8702 178.3833 60 H 4.0326 8.6064 118.2951 59.3241 29.7939 176.2822 61 E 3.9499 8.2328 120.9617 59.9429 29.3899 179.2054 62 R 3.9272 8.5925 117.9238 59.5048 30.2567 178.8496 63 M 4.0746 8.4958 118.3523 58.0221 31.9667 177.4892 64 E 4.3548 8.1007 117.1323 57.2102 30.5357 177.3450 65 Q 4.4285 8.2023 116.6863 56.7106 29.9714 177.0755 66 S 4.5930 7.9487 114.0005 60.3234 64.5840 175.3244 67 I 4.1385 7.9726 122.4755 63.1063 37.0896 177.7982 68 L 4.1980 8.2648 119.1766 57.9087 41.6133 178.0989 69 P 4.5133 0.0000 0.0000 65.1457 30.9942 178.2956 70 L 3.9081 7.9647 117.2253 56.3658 41.6965 178.0910 71 F 4.6928 8.3032 116.3187 55.3854 39.3079 174.8168 72 A 4.0165 6.9449 122.3928 54.5679 18.2279 178.2522 73 G 4.0604 9.3257 112.0321 45.2450 0.0000 173.6880 74 R 4.6618 8.6669 118.6353 56.1111 31.8601 175.6487 75 I 4.4340 7.8844 121.9782 59.3470 37.0186 174.1611 76 L 4.2281 8.7821 126.9574 54.3623 42.4647 175.0629 77 P 4.7732 0.0000 0.0000 62.4549 32.7469 176.0459 78 F 4.4914 8.7604 124.2749 57.0554 39.2227 174.1297 79 D 4.8883 7.6853 127.4112 50.4668 42.3239 175.6939 80 E 3.7231 8.5191 117.8086 59.4044 29.0047 176.6556 81 P 4.1252 0.0000 0.0000 65.8328 31.5386 178.6501 82 V 3.4356 7.8415 116.2567 65.9158 31.3872 177.5475 83 A 3.8754 7.9781 120.5410 55.2502 18.0520 179.5298 84 A 3.9304 7.9181 118.8361 55.3608 18.5404 179.7066 85 I 3.6011 7.4307 118.4189 64.9201 37.1859 177.7435 86 Y 4.1906 8.6885 120.2215 61.0457 38.5694 178.3253 87 A 4.0182 8.2784 121.7258 54.8538 18.3928 179.7218 88 Q 3.9270 7.9291 117.5915 59.0035 28.7851 178.3537 89 I 3.6451 8.1278 122.8920 64.2350 37.2092 178.6682 90 R 3.8051 7.8864 118.8056 58.7988 29.3007 179.3037 91 S 4.0482 7.9359 114.2039 61.7467 62.7974 175.6439 92 Y 4.0138 8.0205 122.1561 60.1477 38.7597 177.3549 93 A 4.0674 7.9170 121.4847 55.3126 18.5046 179.6091 94 K 3.8909 8.0118 118.1078 59.3184 32.0912 177.9299 95 T 4.2573 7.8680 108.6899 62.1905 70.1874 175.0799 96 H 4.4873 7.9296 114.5114 56.5475 31.8340 174.6952 97 G 3.7784 8.5020 108.4589 44.7543 0.0000 173.5013 98 K 4.2615 7.6281 121.0692 54.0328 32.0469 175.1759 99 E 3.9374 8.5734 127.7207 56.0575 30.1126 175.9780 100 I 4.2388 7.9816 126.2545 58.8320 39.2871 175.8844 101 A 3.9840 8.3784 127.5915 51.9798 19.9971 177.6651 102 A 3.9500 8.6498 125.1244 55.3737 17.2521 179.5452 103 A 3.8071 7.8009 118.8479 55.5886 18.4227 179.2345 104 D 4.7322 7.9849 115.8484 57.1384 40.9301 179.1343 105 G 3.6606 8.3890 106.5698 48.3396 0.0000 175.1309 106 Y 4.7581 7.6050 118.7265 61.0495 37.7053 178.9427 107 I 3.9573 7.6659 120.8745 64.2051 37.5171 177.8437 108 A 4.1482 8.4837 121.3673 55.6545 18.1346 179.6782 109 A 4.0162 8.5163 118.9703 55.6423 18.1520 179.9187 110 T 3.8782 7.9448 113.6487 66.7584 68.6268 176.7289 111 A 4.0442 8.8531 123.0026 55.1934 18.2953 179.6693 112 K 3.9405 8.3529 116.9670 59.5076 32.1895 178.3500 113 Q 4.0175 7.8693 119.5024 58.9682 29.0218 176.5014 114 H 4.6722 7.5408 113.3532 54.9374 28.9749 175.6951 115 S 3.6724 7.9484 115.8583 59.3962 59.2270 170.9100 116 M 4.9189 8.4425 120.6605 53.5214 36.5637 174.9760 117 T 4.6085 8.4361 117.2922 62.1077 70.4727 174.7002 118 V 4.2942 8.8414 127.7837 62.5767 33.2094 174.4738 119 A 5.1093 8.6161 129.0803 50.6962 20.8231 175.3916 120 T 4.8559 8.2847 115.8357 61.5440 71.1037 174.2782 121 R 4.0316 8.7118 121.1331 57.0720 30.7260 176.7333 122 D 4.8623 7.5288 121.2580 53.2222 40.6091 177.4510 123 T 4.1658 7.9581 113.0556 65.1391 68.6289 175.6442 124 G 3.9864 8.3082 107.0038 48.4830 0.0000 174.8776 125 S 4.1218 7.8848 116.2862 61.2733 62.8996 176.5475 126 F 4.0123 8.3315 119.5657 60.9378 38.7790 177.8545 127 F 3.9073 8.3984 116.8598 60.6329 38.5955 177.6111 128 A 4.1852 8.0989 118.4400 54.4175 18.1719 178.4297 129 A 4.3034 7.5571 116.9347 50.8471 20.2556 176.4627 130 D 4.3180 8.0003 116.4718 55.4087 39.7865 173.8844 131 V 4.3643 7.2126 116.6523 60.5294 35.2777 174.2415 132 A 3.9800 8.6710 128.0148 52.9408 18.9785 176.3939 133 V 4.8088 8.0273 120.9978 61.1588 35.4153 174.5420 134 F 4.7075 8.5652 126.0513 56.9816 43.3306 172.6242 135 N 4.7950 7.9846 125.3297 50.1721 39.1776 173.0867 136 P 3.7301 0.0000 0.0000 63.1369 31.1085 177.3604 137 W 4.0502 7.8958 119.0374 57.9919 29.6352 175.5644 138 H 5.0515 7.5023 115.4983 54.1100 30.5495 172.9571 139 L 4.7416 8.4331 119.4456 53.9683 44.5338 176.2348 140 E 4.2414 8.8978 119.0650 56.7110 30.1539 174.0235 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 8.16 4.66 0.00 2.26 2.01 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.76 0.00 2 I 8.64 5.04 2.01 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 1.24 0.99 1.22 0.00 0.00 3 L 9.51 5.02 0.00 1.83 1.57 1.07 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.38 4.74 0.00 1.62 1.70 1.08 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 5 D 9.00 4.52 0.00 2.72 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 6 T 8.96 3.94 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 1.24 0.00 0.00 7 N 8.17 4.48 0.00 2.94 3.01 0.00 0.00 5.96 7.68 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 8 V 7.82 3.88 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 1.15 0.00 0.00 1.17 0.00 0.00 9 I 7.57 3.91 1.88 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 1.60 1.01 0.97 0.00 0.00 10 S 7.66 4.70 0.00 4.14 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 0.00 11 E 8.13 4.03 0.00 2.39 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 0.00 2.11 2.36 0.00 12 P 0.00 4.36 0.00 2.08 2.14 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 13 L 7.56 4.24 0.00 1.76 1.75 0.95 0.92 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 14 R 7.51 4.09 0.00 1.96 1.93 0.00 3.28 0.00 0.00 3.59 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 15 P 0.00 4.16 0.00 2.05 2.11 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 16 Q 7.51 4.53 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 17 P 0.00 4.31 0.00 2.19 2.30 0.00 3.82 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 18 N 8.86 4.43 0.00 2.88 2.58 0.00 0.00 6.95 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 19 E 8.83 4.00 0.00 2.04 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 0.00 2.40 2.36 0.00 20 R 7.95 3.86 0.00 1.89 1.96 0.00 3.25 0.00 0.00 3.40 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.82 0.00 21 V 7.82 3.56 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 -0.68 0.00 0.00 22 V 7.56 3.50 2.18 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 0.95 0.00 0.00 0.96 0.00 0.00 23 A 7.99 4.04 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 24 W 8.15 4.27 0.00 3.41 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 25 L 8.18 3.77 0.00 1.94 1.69 1.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.82 4.39 0.00 2.82 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 27 S 7.46 4.34 0.00 3.94 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 28 L 6.37 3.99 0.00 1.43 1.34 -0.03 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.86 4.06 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.71 0.90 0.00 0.00 30 L 7.76 3.64 0.00 1.54 1.46 0.35 0.74 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 31 E 8.01 4.02 0.00 1.90 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 2.24 2.29 0.00 32 D 9.21 4.92 0.00 2.63 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 33 V 7.65 5.02 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 1.00 0.00 0.00 0.88 0.00 0.00 34 Y 9.61 5.13 0.00 2.94 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 35 L 8.63 4.93 0.00 1.40 1.34 -0.07 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.61 5.06 0.00 4.00 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 37 A 8.78 3.90 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 38 I 7.78 3.55 1.91 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.01 0.99 0.00 0.00 39 T 7.80 3.91 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 1.23 0.00 0.00 40 V 8.58 3.60 2.20 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 0.99 0.00 0.00 0.90 0.00 0.00 41 A 8.46 3.99 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 42 E 8.13 3.94 0.00 2.04 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 2.55 2.52 0.00 43 M 8.10 4.04 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.58 0.00 44 R 7.96 3.92 0.00 2.07 1.97 0.00 3.12 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 45 L 8.32 4.07 0.00 1.82 1.86 0.93 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.19 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 47 V 7.44 3.78 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 0.87 0.00 0.00 0.94 0.00 0.00 48 A 8.06 4.22 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 49 L 7.82 4.34 0.00 1.64 1.71 0.93 0.84 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 50 L 7.01 4.64 0.00 1.78 1.59 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.52 3.97 0.00 1.64 1.64 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.53 4.01 0.00 2.70 2.82 0.00 0.00 7.00 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 53 G 8.17 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 54 K 8.24 3.89 0.00 1.83 1.84 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.52 7.81 55 K 8.17 3.76 0.00 1.87 1.79 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.53 7.81 56 K 7.99 3.87 0.00 1.87 1.92 0.00 1.77 0.00 0.00 2.06 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.68 7.81 57 N 8.99 4.29 0.00 3.01 2.86 0.00 0.00 6.75 7.56 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 58 V 8.34 3.61 2.13 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 0.88 0.00 0.00 0.98 0.00 0.00 59 L 8.23 3.93 0.00 1.88 1.85 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 60 H 8.61 4.03 0.00 3.30 3.48 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.23 3.95 0.00 2.22 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 0.00 2.33 2.45 0.00 62 R 8.59 3.93 0.00 1.97 1.98 0.00 3.35 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.80 0.00 63 M 8.50 4.07 0.00 2.19 2.11 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 2.58 2.59 0.00 64 E 8.10 4.35 0.00 2.01 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 2.30 2.41 0.00 65 Q 8.20 4.43 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.77 0.00 0.00 0.00 0.00 0.00 2.61 2.64 0.00 66 S 7.95 4.59 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 67 I 7.97 4.14 2.08 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.90 1.08 0.00 0.00 68 L 8.26 4.20 0.00 1.77 1.81 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.51 0.00 2.14 2.10 0.00 3.64 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 70 L 7.96 3.91 0.00 1.36 1.13 0.88 0.90 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 71 F 8.30 4.69 0.00 3.18 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 72 A 6.94 4.02 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 73 G 9.33 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 0.00 0.00 0.00 0.00 74 R 8.67 4.66 0.00 1.68 1.27 0.00 2.21 0.00 0.00 2.84 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.34 0.00 75 I 7.88 4.43 1.93 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 1.39 0.84 0.94 0.00 0.00 76 L 8.78 4.23 0.00 1.72 1.71 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.77 0.00 2.10 2.08 0.00 3.81 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 78 F 8.76 4.49 0.00 2.84 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 79 D 7.69 4.89 0.00 2.81 2.70 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 80 E 8.52 3.72 0.00 1.96 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 0.00 2.35 2.35 0.00 81 P 0.00 4.13 0.00 2.24 2.06 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 82 V 7.84 3.44 1.53 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 0.76 0.00 0.00 0.84 0.00 0.00 83 A 7.98 3.88 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 84 A 7.92 3.93 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 85 I 7.43 3.60 2.05 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 1.57 0.81 0.93 0.00 0.00 86 Y 8.69 4.19 0.00 3.36 3.43 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 87 A 8.28 4.02 1.54 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 88 Q 7.93 3.93 0.00 2.35 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.67 0.00 0.00 0.00 0.00 0.00 2.31 2.58 0.00 89 I 8.13 3.65 1.90 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 1.49 0.77 0.81 0.00 0.00 90 R 7.89 3.81 0.00 1.43 1.73 0.00 2.67 0.00 0.00 2.59 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.87 0.00 91 S 7.94 4.05 0.00 4.10 4.16 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 92 Y 8.02 4.01 0.00 3.01 3.02 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 93 A 7.92 4.07 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 94 K 8.01 3.89 0.00 1.92 1.95 0.00 1.47 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.44 7.81 95 T 7.87 4.26 4.16 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 1.23 0.00 0.00 96 H 7.93 4.49 0.00 3.10 3.13 0.00 5.84 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 97 G 8.50 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 0.00 0.00 0.00 98 K 7.63 4.26 0.00 1.66 1.71 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.35 7.81 99 E 8.57 3.94 0.00 1.90 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 0.00 2.25 2.34 0.00 100 I 7.98 4.24 1.71 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.94 0.69 0.00 0.00 101 A 8.38 3.98 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 0.00 102 A 8.65 3.95 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 0.00 103 A 7.80 3.81 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 0.00 104 D 7.98 4.73 0.00 2.62 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 0.00 0.00 0.00 105 G 8.39 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 Y 7.61 4.76 0.00 3.17 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 0.00 107 I 7.67 3.96 2.32 0.00 0.00 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 1.80 0.88 1.25 0.00 0.00 108 A 8.48 4.15 1.27 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 0.00 109 A 8.52 4.02 1.69 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 0.00 110 T 7.94 3.88 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 1.31 0.00 0.00 111 A 8.85 4.04 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.35 3.94 0.00 1.99 1.88 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.45 7.81 113 Q 7.87 4.02 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.05 0.00 0.00 0.00 0.00 0.00 2.10 1.86 0.00 114 H 7.54 4.67 0.00 3.13 3.19 0.00 5.86 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 7.95 3.67 0.00 3.98 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 0.00 116 M 8.44 4.92 0.00 1.87 1.92 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 117 T 8.44 4.61 4.30 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 1.32 0.00 0.00 118 V 8.84 4.29 1.78 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 0.30 0.00 0.00 1.00 0.00 0.00 119 A 8.62 5.11 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 0.00 120 T 8.28 4.86 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 0.68 0.00 0.00 121 R 8.71 4.03 0.00 0.68 1.20 0.00 2.75 0.00 0.00 2.95 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.15 0.00 122 D 7.53 4.86 0.00 2.92 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 0.00 123 T 7.96 4.17 4.55 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 1.24 0.00 0.00 124 G 8.31 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 0.00 125 S 7.88 4.12 0.00 3.73 3.49 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 0.00 126 F 8.33 4.01 0.00 3.06 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 0.00 127 F 8.40 3.91 0.00 3.34 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 0.00 128 A 8.10 4.19 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 0.00 129 A 7.56 4.30 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 0.00 130 D 8.00 4.32 0.00 2.80 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 0.00 131 V 7.21 4.36 2.22 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 0.95 0.00 0.00 1.10 0.00 0.00 132 A 8.67 3.98 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 0.00 133 V 8.03 4.81 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 0.66 0.00 0.00 0.55 0.00 0.00 134 F 8.57 4.71 0.00 3.13 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 0.00 135 N 7.98 4.79 0.00 2.56 2.21 0.00 0.00 7.44 7.71 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 0.00 136 P 0.00 3.73 0.00 1.82 1.10 0.00 3.71 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 1.77 1.79 0.00 137 W 7.90 4.05 0.00 3.57 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 0.00 138 H 7.50 5.05 0.00 3.04 3.20 0.00 5.61 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 0.00 139 L 8.43 4.74 0.00 1.65 1.67 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 140 E 8.90 4.24 0.00 2.14 2.33 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 2.22 2.33 0.00