NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.6828 8.4244 118.2197 52.7027 37.8212 171.8683 4 E 4.2619 8.2164 127.6824 56.2331 31.4015 173.1712 5 K 5.3785 10.7800 128.3704 54.9259 35.4454 174.8448 6 I 5.0006 8.9352 124.9765 59.3804 40.8009 173.9556 7 L 5.1546 9.1375 129.3616 53.4757 44.4424 174.8788 8 I 4.5662 8.9937 127.9299 59.8788 39.1365 174.8349 9 V 4.6573 8.6833 128.9840 61.5272 32.9664 174.0890 10 D 4.9704 8.6765 126.7167 53.4027 44.5742 176.0548 11 D 4.5496 8.6113 124.9197 54.6646 39.9883 176.7286 12 Q 4.4099 8.4968 120.5250 54.4564 29.5174 175.8689 13 S 4.2551 8.8303 122.9473 61.9183 62.8946 176.8420 14 G 3.6738 8.1164 107.4064 48.1231 0.0000 175.5099 15 I 3.7971 7.6752 122.2464 63.6058 37.2917 178.4053 16 R 3.9668 8.4276 119.9020 59.7056 29.9504 178.6974 17 I 3.7745 8.0235 119.6550 64.1185 37.0203 177.9318 18 L 3.8974 7.9958 121.2746 58.2991 41.9716 178.9408 19 L 3.8612 8.1658 118.6078 57.8355 41.6808 178.9743 20 N 4.3509 8.2982 116.8452 56.9355 38.7521 176.4751 21 E 3.9254 8.1798 120.4995 59.0571 29.7688 178.6683 22 V 3.3619 7.5317 118.3391 66.2023 31.6277 177.9253 23 F 4.6660 7.7671 116.4003 59.6306 38.8505 177.5759 24 N 4.6017 8.2235 117.4309 56.6330 38.5594 177.0903 25 K 4.0629 8.2012 119.1844 59.2753 32.1693 178.7998 26 E 4.2194 7.6595 116.5380 57.2891 29.5762 177.6732 27 G 3.9934 7.7790 105.4736 45.0752 0.0000 173.5811 28 Y 4.4449 8.0814 117.6243 57.6604 39.7967 174.4551 29 Q 4.5708 9.4428 124.1027 55.4521 30.1055 174.7249 30 T 5.6020 8.1004 116.3306 59.5155 71.6635 173.5673 31 F 5.0251 8.4414 119.4852 56.1577 43.8416 173.4973 32 Q 5.2784 8.8499 118.3902 54.4172 32.5825 174.6575 33 A 4.8261 8.9059 122.4770 50.7180 22.3452 176.7328 34 A 4.6675 9.0505 121.6361 51.7787 20.4511 175.9877 35 N 4.9703 7.5846 112.6815 50.6271 41.4276 175.3251 36 G 3.5983 8.5810 106.1631 47.8772 0.0000 175.7218 37 L 3.9890 7.9356 120.8815 57.7627 41.6436 179.4905 38 Q 3.9631 8.3009 117.3990 58.6956 28.6349 178.5545 39 A 3.9776 7.7672 121.6416 55.3805 18.6114 179.6382 40 L 3.9244 8.5179 117.6256 57.8352 41.6714 179.2771 41 D 4.2903 8.1880 118.0234 57.6363 41.2278 178.5752 42 I 3.6298 7.9962 120.4964 64.1809 37.0206 178.5737 43 V 3.5519 7.8224 119.2084 66.1377 31.0498 178.3609 44 T 3.7798 7.4884 114.2488 66.6021 68.4724 176.3727 45 K 4.0806 7.8689 119.7960 58.4515 32.3634 177.7132 46 E 4.1720 8.3935 117.3011 54.9225 31.6787 176.0788 47 R 3.7757 7.5924 117.0969 56.3706 27.9995 174.2975 48 P 4.4801 0.0000 0.0000 62.9284 32.8158 176.9439 49 D 4.5945 8.6955 119.5952 56.7439 42.2334 176.1640 50 L 5.8678 8.1939 118.9017 52.1357 46.1205 175.4632 51 V 4.8058 8.2535 123.8082 61.1024 35.0412 174.0317 52 L 4.8274 8.9088 128.3879 53.3520 43.1724 175.4426 53 L 4.7559 8.5623 128.2921 53.1341 43.2782 175.0488 54 D 4.8855 8.9126 128.2834 54.6421 41.1647 176.0351 55 M 4.2770 9.3458 126.1430 56.3959 32.5924 177.4256 56 K 4.4946 8.5298 118.9826 53.8465 32.4472 173.6075 57 I 4.5228 7.6003 121.4921 58.1102 40.1749 173.5400 58 P 4.3478 0.0000 0.0000 64.4474 31.4468 176.8746 59 G 3.9381 9.0396 111.1421 45.3628 0.0000 172.4714 60 M 4.3442 7.8063 119.5647 53.7386 33.8600 175.0036 61 D 4.6407 8.4443 125.8944 52.5969 41.0842 176.5283 62 G 3.8631 8.8155 113.9915 48.2457 0.0000 173.3596 63 I 3.7548 7.8417 122.0580 63.7471 37.0118 178.1021 64 E 3.9282 8.2550 119.9408 59.3677 29.5273 178.9748 65 I 3.7344 7.6880 119.2965 63.7788 37.1148 178.1362 66 L 3.9043 7.7200 121.2117 58.0116 42.1284 178.8571 67 K 3.8700 7.8722 118.3594 59.7695 31.9734 179.5135 68 R 3.9282 8.1514 118.0913 59.4873 29.9410 178.9983 69 M 4.0187 8.1293 118.4463 58.4774 32.1063 178.9734 70 K 4.0416 8.2081 118.6021 59.3142 31.9224 179.7029 71 V 3.5534 7.3360 117.2556 66.1981 31.6488 177.9493 72 I 4.0961 7.7272 118.3854 63.4414 37.5615 175.8327 73 D 4.3743 8.1669 119.4785 53.5162 41.9534 174.8887 74 E 4.6822 8.5374 121.8548 56.5129 29.8511 177.4106 75 N 4.6597 8.1265 116.5537 53.7235 39.5280 174.9692 76 I 3.9811 7.4612 119.8623 60.8176 38.7818 175.1642 77 R 4.6804 8.7094 128.1067 54.5113 32.7553 175.3274 78 V 4.8597 8.1559 121.4813 61.0994 35.5109 173.9848 79 I 4.9027 8.6099 127.6503 59.4905 39.9026 174.7675 80 I 4.7579 8.3331 120.8883 60.1990 40.0278 174.5570 81 M 5.4055 9.2266 124.5064 54.0594 34.6268 175.2728 82 T 4.9490 9.1537 113.8132 59.5570 72.6228 173.1121 83 A 4.6323 8.4159 123.0330 51.0490 19.9961 178.4166 84 Y 4.4390 8.7543 121.0056 55.8426 37.1095 176.9743 85 G 3.7819 8.1590 117.4381 46.0822 0.0000 174.1205 86 E 3.5647 8.0786 114.9946 56.8506 26.0639 175.7348 87 L 3.9637 8.0505 129.0365 58.8131 40.4692 179.0032 88 D 4.2939 9.8158 120.6214 57.1156 40.7229 178.2777 89 M 3.9718 7.6141 118.3588 58.7793 32.1767 178.3498 90 I 3.6044 7.7096 119.8016 64.4175 37.2775 178.1863 91 Q 3.8997 8.1304 120.3965 59.0936 28.9405 178.0555 92 E 4.0784 8.4550 120.8586 59.3337 29.7486 179.0011 93 S 4.1410 8.2872 114.5359 61.0517 62.9752 176.4068 94 K 3.8539 8.2779 123.5460 59.5127 31.7999 178.7396 95 E 3.9564 8.0622 117.3228 58.9224 29.4156 178.4117 96 L 4.3708 7.4408 116.3092 54.6772 42.0937 177.4962 97 G 3.9032 8.2689 107.6730 44.4558 0.0000 173.9913 98 A 4.0616 7.9468 122.6929 52.7992 18.9220 177.9939 99 L 3.8428 9.0015 122.6440 57.6528 42.4956 176.8277 100 T 4.1826 6.9861 110.5357 62.1602 71.0324 170.8163 101 H 5.4500 8.2627 115.8146 54.1407 31.9902 172.7637 102 F 5.0188 9.0091 117.0352 55.9013 43.2427 173.7796 103 A 5.2262 9.0003 123.8001 50.9178 20.5688 176.6271 104 K 4.7366 8.7878 120.4319 54.1379 33.9620 175.2178 105 P 4.0384 0.0000 0.0000 62.5060 31.9917 176.0143 106 F 4.7430 6.9924 116.1530 55.5472 40.0628 175.4471 107 D 4.6831 8.4832 120.4281 53.0639 41.4067 176.3865 108 I 3.5908 8.5143 128.9965 64.9706 37.1409 177.8879 109 D 4.2923 8.1532 118.7053 57.2176 40.5943 178.4308 110 E 3.8699 8.1441 119.4752 59.2236 29.6071 178.9487 111 I 2.9890 7.2862 119.7831 64.0273 37.2330 178.1693 112 R 4.1088 7.9413 119.5743 59.8608 29.9649 178.2208 113 D 4.3692 8.3324 118.3817 57.1646 40.7320 178.6195 114 A 3.9028 8.0585 121.2581 55.5016 18.4313 180.2562 115 V 3.6669 8.0852 110.8775 64.3443 31.1418 178.9966 116 K 4.1339 8.1025 119.2886 58.2708 31.6028 179.3970 117 K 3.8971 7.5760 119.5243 59.5958 32.2663 178.1282 118 Y 4.6302 7.7919 115.2879 59.0862 39.3465 175.6788 119 L 4.8586 8.4875 121.2825 52.0353 42.0423 173.9464 120 P 4.5797 0.0000 0.0000 62.1612 32.3018 177.0498 121 L 4.0106 8.3613 120.8390 55.3563 41.9852 176.2969 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 3 N 8.42 4.68 0.00 2.89 2.96 0.00 0.00 6.02 6.77 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 4 E 8.22 4.26 0.00 2.26 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 2.64 2.75 0.00 5 K 10.78 5.38 0.00 1.90 2.01 0.00 1.74 0.00 0.00 1.83 0.00 0.00 3.27 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.79 1.54 7.81 6 I 8.94 5.00 1.72 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.55 0.62 0.00 0.00 7 L 9.14 5.15 0.00 1.76 1.52 1.03 0.84 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 8 I 8.99 4.57 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.36 0.98 0.00 0.00 9 V 8.68 4.66 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 1.05 0.00 0.00 0.95 0.00 0.00 10 D 8.68 4.97 0.00 2.83 2.51 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 11 D 8.61 4.55 0.00 2.68 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 12 Q 8.50 4.41 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 13 S 8.83 4.26 0.00 3.87 3.96 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 14 G 8.12 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 15 I 7.68 3.80 2.04 0.00 0.00 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 1.50 0.70 1.17 0.00 0.00 16 R 8.43 3.97 0.00 2.00 1.97 0.00 3.21 0.00 0.00 3.52 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.74 0.00 17 I 8.02 3.77 2.11 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 1.43 0.65 0.92 0.00 0.00 18 L 8.00 3.90 0.00 1.97 1.96 0.97 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 19 L 8.17 3.86 0.00 1.99 1.88 1.04 0.22 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 20 N 8.30 4.35 0.00 2.89 3.03 0.00 0.00 6.89 6.99 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 21 E 8.18 3.93 0.00 2.21 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 0.00 2.28 2.32 0.00 22 V 7.53 3.36 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.77 0.00 0.00 23 F 7.77 4.67 0.00 3.15 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 24 N 8.22 4.60 0.00 2.97 2.99 0.00 0.00 7.03 5.40 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 25 K 8.20 4.06 0.00 1.96 1.85 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.78 7.81 26 E 7.66 4.22 0.00 2.51 2.28 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 2.63 2.68 0.00 27 G 7.78 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 28 Y 8.08 4.44 0.00 3.17 2.89 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 29 Q 9.44 4.57 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.71 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 30 T 8.10 5.60 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 1.38 0.00 0.00 31 F 8.44 5.03 0.00 2.95 2.93 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 32 Q 8.85 5.28 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 33 A 8.91 4.83 1.24 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 34 A 9.05 4.67 1.31 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 35 N 7.58 4.97 0.00 2.96 2.92 0.00 0.00 6.14 7.07 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 36 G 8.58 3.60 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 0.00 0.00 0.00 37 L 7.94 3.99 0.00 1.83 1.73 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.30 3.96 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 39 A 7.77 3.98 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 40 L 8.52 3.92 0.00 1.94 1.72 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.19 4.29 0.00 3.03 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 42 I 8.00 3.63 1.91 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 1.37 0.61 0.60 0.00 0.00 43 V 7.82 3.55 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 0.97 0.00 0.00 44 T 7.49 3.78 4.40 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 1.18 0.00 0.00 45 K 7.87 4.08 0.00 1.72 1.85 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.44 7.81 46 E 8.39 4.17 0.00 1.48 1.24 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 1.84 1.47 0.00 47 R 7.59 3.78 0.00 1.88 1.89 0.00 3.14 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.49 0.00 48 P 0.00 4.48 0.00 2.15 2.09 0.00 3.41 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.90 0.00 49 D 8.70 4.59 0.00 2.81 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 50 L 8.19 5.87 0.00 1.66 1.30 0.87 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.25 4.81 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 1.06 0.00 0.00 0.90 0.00 0.00 52 L 8.91 4.83 0.00 1.60 1.59 0.67 0.30 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 53 L 8.56 4.76 0.00 1.78 1.57 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.91 4.89 0.00 2.94 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 55 M 9.35 4.28 0.00 1.92 2.21 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.92 0.00 56 K 8.53 4.49 0.00 1.72 1.74 0.00 1.55 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.42 7.81 57 I 7.60 4.52 1.89 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 1.70 0.97 0.98 0.00 0.00 58 P 0.00 4.35 0.00 2.04 2.03 0.00 3.71 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 2.04 2.11 0.00 59 G 9.04 3.94 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 0.00 0.00 0.00 60 M 7.81 4.34 0.00 2.09 1.97 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 2.53 2.45 0.00 61 D 8.44 4.64 0.00 2.71 2.56 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 0.00 0.00 0.00 62 G 8.82 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 0.00 0.00 0.00 63 I 7.84 3.75 1.99 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 1.51 1.23 0.90 0.00 0.00 64 E 8.25 3.93 0.00 2.11 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 0.00 2.30 2.38 0.00 65 I 7.69 3.73 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.85 0.91 0.00 0.00 66 L 7.72 3.90 0.00 1.87 1.76 0.90 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 67 K 7.87 3.87 0.00 2.04 1.84 0.00 1.71 0.00 0.00 1.64 0.00 0.00 3.35 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.48 7.81 68 R 8.15 3.93 0.00 1.97 1.96 0.00 3.25 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.94 0.00 69 M 8.13 4.02 0.00 2.04 2.31 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.56 0.00 70 K 8.21 4.04 0.00 1.97 1.84 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.68 1.57 7.81 71 V 7.34 3.55 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 0.82 0.00 0.00 0.95 0.00 0.00 72 I 7.73 4.10 1.96 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 1.39 0.74 0.88 0.00 0.00 73 D 8.17 4.37 0.00 2.68 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.54 4.68 0.00 2.10 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 0.00 2.26 2.28 0.00 75 N 8.13 4.66 0.00 2.98 2.89 0.00 0.00 6.87 6.95 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 76 I 7.46 3.98 2.01 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 1.19 0.81 0.95 0.00 0.00 77 R 8.71 4.68 0.00 1.72 1.71 0.00 3.08 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 78 V 8.16 4.86 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 0.99 0.00 0.00 0.90 0.00 0.00 79 I 8.61 4.90 1.89 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 1.26 0.73 1.16 0.00 0.00 80 I 8.33 4.76 1.89 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 1.35 0.75 0.90 0.00 0.00 81 M 9.23 5.41 0.00 2.14 2.12 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 2.61 2.60 0.00 82 T 9.15 4.95 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 1.24 0.00 0.00 83 A 8.42 4.63 1.30 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 0.00 0.00 0.00 84 Y 8.75 4.44 0.00 3.16 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 85 G 8.16 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 86 E 8.08 3.56 0.00 2.07 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 2.33 2.23 0.00 87 L 8.05 3.96 0.00 1.87 1.89 0.90 0.76 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 88 D 9.82 4.29 0.00 2.90 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 89 M 7.61 3.97 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 90 I 7.71 3.60 1.76 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 0.81 0.00 0.00 91 Q 8.13 3.90 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 92 E 8.45 4.08 0.00 2.27 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 2.29 2.30 0.00 93 S 8.29 4.14 0.00 4.05 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 94 K 8.28 3.85 0.00 1.94 1.99 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.44 7.81 95 E 8.06 3.96 0.00 2.14 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 2.33 2.61 0.00 96 L 7.44 4.37 0.00 1.76 1.67 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.27 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 98 A 7.95 4.06 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 99 L 9.00 3.84 0.00 1.33 1.03 0.70 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 100 T 6.99 4.18 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 1.07 0.00 0.00 101 H 8.26 5.45 0.00 3.07 3.13 0.00 5.72 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 F 9.01 5.02 0.00 3.07 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 0.00 103 A 9.00 5.23 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 0.00 104 K 8.79 4.74 0.00 1.68 1.65 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.21 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.55 7.81 105 P 0.00 4.04 0.00 2.01 1.88 0.00 3.64 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 1.88 1.82 0.00 106 F 6.99 4.74 0.00 3.05 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 0.00 107 D 8.48 4.68 0.00 2.80 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 0.00 108 I 8.51 3.59 1.87 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.72 0.80 0.00 0.00 109 D 8.15 4.29 0.00 2.83 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 0.00 110 E 8.14 3.87 0.00 2.05 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 2.40 2.41 0.00 111 I 7.29 2.99 1.71 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 -0.17 0.77 0.00 0.00 112 R 7.94 4.11 0.00 1.89 2.08 0.00 3.23 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 113 D 8.33 4.37 0.00 2.86 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 0.00 114 A 8.06 3.90 1.68 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 0.00 115 V 8.09 3.67 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 0.73 0.00 0.00 0.68 0.00 0.00 116 K 8.10 4.13 0.00 1.91 1.94 0.00 1.76 0.00 0.00 2.07 0.00 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.77 1.66 7.81 117 K 7.58 3.90 0.00 1.66 1.69 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.35 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.96 1.29 7.81 118 Y 7.79 4.63 0.00 3.02 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 0.00 119 L 8.49 4.86 0.00 1.52 1.71 1.06 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.58 0.00 2.24 2.09 0.00 3.49 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 121 L 8.36 4.01 0.00 1.43 1.44 0.72 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00