NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.5630 8.1076 122.4760 52.0279 20.6325 175.1233 2 S 5.2495 8.3974 113.2313 55.3510 66.6745 170.5421 3 Y 4.8847 9.0951 118.4340 56.3948 41.8614 174.4918 4 K 5.1230 8.7202 118.4772 54.9656 35.4230 176.0743 5 V 4.6410 8.3444 114.6415 60.1740 36.7373 173.4960 6 N 5.2864 8.6905 119.5608 52.3422 40.0903 174.7141 7 I 4.5716 8.6739 123.7299 58.5416 40.5008 173.4925 8 P 4.8240 0.0000 0.0000 63.1883 31.6503 175.9441 9 A 4.4541 8.7536 122.2167 50.7451 20.9709 176.9520 10 G 3.8006 8.1949 104.0149 43.4955 0.0000 170.9879 11 P 4.2325 0.0000 0.0000 62.3467 31.6276 175.6969 12 L 4.4751 7.8212 121.1031 52.8517 43.6491 176.4410 13 W 4.6860 8.8179 123.4106 57.2308 29.8104 176.5341 14 S 4.7875 7.1954 112.3487 56.5857 65.8775 175.6170 15 N 4.5174 8.8050 120.2035 56.5776 37.6754 176.6769 16 A 3.9782 8.0381 121.9734 55.1500 18.4888 179.1188 17 E 3.8733 8.2603 117.4457 59.3652 29.7898 178.7723 18 A 3.4932 7.4280 120.7284 55.0652 17.9447 179.5092 19 Q 4.4529 8.1124 115.4223 58.2431 28.9539 177.9626 20 Q 4.2564 7.1546 119.3334 57.8146 29.5413 178.1155 21 V 3.5158 7.9962 119.8190 65.4557 31.4428 177.9778 22 G 2.4438 7.6391 105.9466 47.2494 0.0000 173.7598 23 P 4.2784 0.0000 0.0000 64.8581 31.4353 178.9663 24 K 3.8857 7.2998 114.7065 59.4551 31.7675 179.4765 25 I 3.6505 7.5786 119.7925 64.2945 37.0226 178.2668 26 A 4.0240 8.1967 121.6066 55.3033 18.2031 179.5890 27 A 4.0071 8.3352 119.1723 55.1309 18.1935 179.6729 28 A 3.9377 7.6893 117.9092 54.3528 18.3420 177.9607 29 H 4.7053 7.3694 113.0870 55.1071 29.2796 174.2753 30 Q 3.4272 7.8719 116.4372 57.1350 26.6018 172.8498 31 G 4.3121 8.3589 103.7438 44.8518 0.0000 171.9645 32 N 5.2348 8.7148 116.2670 50.9815 41.5986 174.4817 33 F 4.9788 8.9775 126.5731 58.7474 39.6643 175.0716 34 T 3.9015 8.2263 116.0745 62.1497 68.9636 175.4590 35 G 3.4884 5.7603 109.3556 45.0367 0.0000 173.7578 36 Q 4.6144 7.4892 119.0235 55.1365 30.1312 175.2039 37 W 5.5407 8.3484 118.4345 56.3606 31.2252 173.2198 38 T 4.1315 8.9693 114.1483 61.1931 70.8764 172.2229 39 T 4.7165 8.0666 122.8303 62.1813 68.9443 175.0125 40 V 4.1291 8.7370 119.9352 61.8040 33.6573 176.4829 41 V 4.1761 7.4492 119.2806 60.3547 33.0500 173.8882 42 E 3.9586 8.8292 128.0657 58.2193 29.6793 177.1967 43 S 3.8950 8.8983 119.0136 59.2456 60.8904 172.0757 44 A 4.6584 7.6341 118.9543 52.8237 22.0656 177.0583 45 M 4.6688 8.5000 114.7596 54.6535 35.9978 174.2420 46 S 5.2627 8.8358 120.9933 56.8722 67.7570 173.2750 47 V 4.8368 9.2226 114.3140 59.7759 35.6467 175.1171 48 V 5.0448 8.7368 116.4996 59.5820 35.0461 174.5026 49 E 4.8584 9.6200 126.4506 55.8315 31.1319 175.2951 50 V 4.9654 8.8749 126.7694 61.0535 35.1214 173.6060 51 E 4.6788 9.4260 129.4339 55.3269 30.8253 175.1409 52 L 4.8733 8.5496 127.0441 53.2000 44.9419 175.2773 53 Q 4.9738 8.2586 119.0461 54.5372 30.0384 176.2399 54 V 4.0527 9.2460 124.2083 65.5740 32.1861 176.2867 55 E 4.6868 8.0953 118.2920 54.3809 32.0776 174.8914 56 N 4.6815 8.9741 122.1212 52.7111 39.1265 174.8294 57 T 4.4727 9.7472 113.3106 59.6169 71.3385 172.9182 58 G 4.3480 7.9467 107.7468 43.3806 0.0000 173.3038 59 I 4.0802 7.6992 112.3270 61.1803 38.6777 175.4264 60 H 4.7725 7.6803 119.4340 54.7716 30.5034 173.9136 61 E 5.6711 8.1396 117.0400 54.9976 33.0670 174.3793 62 F 4.9618 8.8963 122.3591 57.2987 42.7206 173.0266 63 K 4.8992 8.0098 125.4517 55.6497 34.1771 175.3103 64 T 4.2308 8.1949 116.1209 61.8497 71.6901 171.2639 65 D 5.4546 8.3982 123.3715 52.8420 43.7310 176.1584 66 V 4.5819 8.2950 114.0152 59.1438 36.7453 174.6493 67 L 4.3879 8.7443 121.7066 55.6592 41.7265 177.1302 68 A 4.5834 8.8638 123.2553 50.9839 20.6660 176.9799 69 G 3.8820 8.2642 104.4166 43.8785 0.0000 171.0202 70 P 4.4246 0.0000 0.0000 62.0894 31.8894 175.7105 71 L 4.6197 7.4486 122.5600 52.7971 43.7573 176.6113 72 W 4.6486 9.9340 124.4042 57.6341 29.9348 176.6606 73 S 4.8404 7.3833 112.2805 56.1899 66.3099 174.7629 74 N 4.5468 8.9270 120.5787 56.9912 38.8091 176.5931 75 D 4.3983 8.1661 119.9091 57.4223 40.8800 178.3195 76 E 3.8409 8.0992 119.2215 59.0991 29.5840 178.6782 77 A 3.3803 7.6170 120.8464 55.0970 17.9727 179.7084 78 Q 4.1789 8.2028 115.8792 58.7416 28.8131 178.6164 79 K 4.0404 7.7800 120.0231 59.4926 32.5556 178.5334 80 L 4.2114 8.0495 119.0155 56.4083 41.7137 179.1230 81 G 2.4472 7.6510 106.6774 47.1097 0.0000 173.6423 82 P 4.3470 0.0000 0.0000 65.3474 31.4308 178.8060 83 Q 3.9741 7.8765 116.1597 58.8614 28.5028 178.5454 84 I 3.7030 7.7433 120.0318 64.3200 37.3578 177.9698 85 A 4.2228 8.5878 121.7325 55.2176 18.1367 179.4955 86 A 4.0323 8.3284 119.7066 55.2181 18.2298 179.6003 87 S 4.2340 7.9604 111.0304 60.3779 63.1622 175.0563 88 Y 4.6394 8.0710 119.4897 56.6727 38.6215 175.2379 89 G 3.9874 8.7234 107.7406 46.2952 0.0000 172.8483 90 A 4.7538 7.8532 118.8315 50.6974 23.0866 175.9161 91 E 4.7323 8.8929 117.4399 54.9291 32.4909 175.4570 92 F 5.2187 8.6826 124.6888 57.6261 39.9988 175.7262 93 T 3.8945 8.0359 115.8814 62.2218 68.9534 175.6969 94 G 3.4373 5.9844 109.4739 44.8867 0.0000 173.6619 95 Q 4.5980 7.3093 119.0821 55.1451 30.3490 175.0213 96 W 5.1323 8.0372 118.0684 56.4422 30.8489 173.0941 97 R 3.5889 8.5713 114.4395 55.5823 32.4031 173.7054 98 T 4.7668 8.2849 117.7047 63.1292 68.9710 174.7232 99 I 4.2598 8.7577 119.3081 61.2702 39.7225 175.9581 100 V 4.2501 7.4844 122.5685 61.0433 34.2598 174.0530 101 E 3.8787 8.9931 127.5395 58.2923 29.6072 178.2277 102 G 4.0489 8.8117 110.8543 45.7766 0.0000 174.0371 103 V 4.3997 7.8006 116.5018 62.5023 34.1370 175.8547 104 M 4.8069 7.5897 118.6463 54.2813 35.7423 173.5916 105 S 5.3216 8.7633 118.5884 56.8174 67.6092 172.7484 106 V 5.1141 9.2728 112.4004 59.6084 36.0162 174.9833 107 I 5.1383 8.3446 115.7496 59.2469 41.2554 173.9849 108 Q 5.1172 9.4771 125.5683 54.4903 30.4833 174.5735 109 I 5.0171 8.9324 119.4985 58.8692 41.6028 174.1838 110 K 4.8643 8.9196 124.3454 54.9637 34.8035 174.5656 111 Y 4.9632 9.1458 125.9443 57.6389 39.7969 174.7011 112 T 5.3047 8.7253 119.3577 61.7283 71.7044 174.0487 113 F 4.6243 8.7964 120.8222 57.3628 38.1466 174.0882 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 A 8.11 4.56 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 2 S 8.40 5.25 0.00 3.99 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 3 Y 9.10 4.88 0.00 3.04 3.05 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 4 K 8.72 5.12 0.00 1.64 1.71 0.00 1.72 0.00 0.00 1.86 0.00 0.00 2.69 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.42 7.81 5 V 8.34 4.64 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 0.92 0.00 0.00 0.93 0.00 0.00 6 N 8.69 5.29 0.00 2.62 2.76 0.00 0.00 6.73 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 7 I 8.67 4.57 1.84 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.82 0.77 0.00 0.00 8 P 0.00 4.82 0.00 1.92 1.98 0.00 3.58 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 2.01 2.09 0.00 9 A 8.75 4.45 1.16 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 10 G 8.19 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 11 P 0.00 4.23 0.00 1.30 1.75 0.00 3.69 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 2.02 2.06 0.00 12 L 7.82 4.48 0.00 1.33 0.90 0.49 0.66 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 13 W 8.82 4.69 0.00 3.29 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 14 S 7.20 4.79 0.00 4.08 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 15 N 8.81 4.52 0.00 3.17 3.03 0.00 0.00 6.75 8.32 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 16 A 8.04 3.98 1.34 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 17 E 8.26 3.87 0.00 2.02 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 2.15 2.26 0.00 18 A 7.43 3.49 -0.05 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 19 Q 8.11 4.45 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.75 2.64 0.00 20 Q 7.15 4.26 0.00 2.28 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 21 V 8.00 3.52 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 0.82 0.00 0.00 0.85 0.00 0.00 22 G 7.64 2.44 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 0.00 23 P 0.00 4.28 0.00 2.12 2.14 0.00 3.47 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 24 K 7.30 3.89 0.00 1.87 1.77 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.54 7.81 25 I 7.58 3.65 1.88 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 1.49 0.88 0.91 0.00 0.00 26 A 8.20 4.02 1.45 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 0.00 0.00 27 A 8.34 4.01 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 0.00 0.00 28 A 7.69 3.94 1.26 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 0.00 0.00 29 H 7.37 4.71 0.00 3.13 3.33 0.00 5.81 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.87 3.43 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 31 G 8.36 4.31 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 0.00 0.00 0.00 32 N 8.71 5.23 0.00 2.61 2.71 0.00 0.00 7.10 7.83 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 33 F 8.98 4.98 0.00 2.98 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 34 T 8.23 3.90 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 1.17 0.00 0.00 35 G 5.76 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 0.00 0.00 0.00 36 Q 7.49 4.61 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.55 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 37 W 8.35 5.54 0.00 3.67 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 38 T 8.97 4.13 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 1.18 0.00 0.00 39 T 8.07 4.72 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 1.15 0.00 0.00 40 V 8.74 4.13 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 0.62 0.00 0.00 0.96 0.00 0.00 41 V 7.45 4.18 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 1.08 0.00 0.00 0.92 0.00 0.00 42 E 8.83 3.96 0.00 2.04 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 2.45 2.41 0.00 43 S 8.90 3.90 0.00 4.18 4.25 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 44 A 7.63 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 45 M 8.50 4.67 0.00 2.06 1.84 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 2.48 2.55 0.00 46 S 8.84 5.26 0.00 3.93 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 47 V 9.22 4.84 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 0.80 0.00 0.00 0.98 0.00 0.00 48 V 8.74 5.04 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 0.56 0.00 0.00 0.96 0.00 0.00 49 E 9.62 4.86 0.00 2.16 1.92 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 2.28 2.27 0.00 50 V 8.87 4.97 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 0.96 0.00 0.00 1.06 0.00 0.00 51 E 9.43 4.68 0.00 2.00 1.76 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 2.19 2.34 0.00 52 L 8.55 4.87 0.00 0.38 1.25 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.26 4.97 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 7.04 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 54 V 9.25 4.05 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 0.77 0.00 0.00 1.04 0.00 0.00 55 E 8.10 4.69 0.00 2.00 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 2.25 2.33 0.00 56 N 8.97 4.68 0.00 2.85 3.06 0.00 0.00 7.01 7.54 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 57 T 9.75 4.47 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 1.25 0.00 0.00 58 G 7.95 4.35 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 0.00 59 I 7.70 4.08 1.75 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 1.18 0.27 0.85 0.00 0.00 60 H 7.68 4.77 0.00 1.82 2.17 0.00 5.79 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.14 5.67 0.00 2.00 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 2.16 2.18 0.00 62 F 8.90 4.96 0.00 3.44 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 63 K 8.01 4.90 0.00 1.47 1.55 0.00 1.76 0.00 0.00 1.54 0.00 0.00 2.61 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.52 7.81 64 T 8.19 4.23 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 1.44 0.00 0.00 65 D 8.40 5.45 0.00 2.61 2.52 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 66 V 8.30 4.58 1.65 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 0.65 0.00 0.00 -0.17 0.00 0.00 67 L 8.74 4.39 0.00 1.69 1.71 0.98 0.74 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 68 A 8.86 4.58 1.21 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 0.00 0.00 69 G 8.26 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 70 P 0.00 4.42 0.00 1.76 1.92 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 71 L 7.45 4.62 0.00 1.47 0.94 0.53 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 72 W 9.93 4.65 0.00 3.23 3.35 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 73 S 7.38 4.84 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 74 N 8.93 4.55 0.00 3.19 3.02 0.00 0.00 6.88 8.49 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 75 D 8.17 4.40 0.00 2.82 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 76 E 8.10 3.84 0.00 2.06 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 2.16 2.27 0.00 77 A 7.62 3.38 -0.10 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 0.00 0.00 78 Q 8.20 4.18 0.00 2.02 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.91 0.00 0.00 0.00 0.00 0.00 2.73 2.61 0.00 79 K 7.78 4.04 0.00 1.79 1.94 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.44 7.81 80 L 8.05 4.21 0.00 1.56 1.53 0.84 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.65 2.45 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 0.00 0.00 0.00 82 P 0.00 4.35 0.00 2.17 2.18 0.00 3.63 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 83 Q 7.88 3.97 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 84 I 7.74 3.70 1.87 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 1.42 0.53 1.02 0.00 0.00 85 A 8.59 4.22 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 86 A 8.33 4.03 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 87 S 7.96 4.23 0.00 3.97 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 88 Y 8.07 4.64 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 89 G 8.72 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 90 A 7.85 4.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.89 4.73 0.00 1.94 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 2.27 0.00 92 F 8.68 5.22 0.00 3.04 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 93 T 8.04 3.89 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 1.15 0.00 0.00 94 G 5.98 3.44 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 0.00 95 Q 7.31 4.60 0.00 1.90 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.60 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 96 W 8.04 5.13 0.00 3.66 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 97 R 8.57 3.59 0.00 1.55 1.68 0.00 2.65 0.00 0.00 3.06 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.44 0.00 98 T 8.28 4.77 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 1.20 0.00 0.00 99 I 8.76 4.26 1.86 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 1.22 0.60 0.90 0.00 0.00 100 V 7.48 4.25 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 1.05 0.00 0.00 0.92 0.00 0.00 101 E 8.99 3.88 0.00 2.00 1.94 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 2.33 2.33 0.00 102 G 8.81 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 0.00 103 V 7.80 4.40 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 0.77 0.00 0.00 0.93 0.00 0.00 104 M 7.59 4.81 0.00 2.11 1.87 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.60 0.00 105 S 8.76 5.32 0.00 4.29 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 0.00 106 V 9.27 5.11 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 0.86 0.00 0.00 1.01 0.00 0.00 107 I 8.34 5.14 2.20 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.82 0.86 0.00 0.00 108 Q 9.48 5.12 0.00 2.19 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.70 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 109 I 8.93 5.02 1.59 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.38 0.80 0.00 0.00 110 K 8.92 4.86 0.00 1.72 1.65 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.39 7.81 111 Y 9.15 4.96 0.00 3.35 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 0.00 112 T 8.73 5.30 4.46 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 1.30 0.00 0.00 113 F 8.80 4.62 0.00 3.03 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