NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.0965 8.2549 120.8477 57.7801 30.6574 175.5287 5 S 3.6780 8.7303 104.2864 58.6602 59.1849 167.6528 6 P 4.6704 0.0000 0.0000 61.5718 33.5695 176.4207 7 S 4.2894 8.4174 116.1466 57.8533 63.3190 173.4123 8 P 4.2328 0.0000 0.0000 66.2421 30.9646 177.9492 9 S 3.9390 7.8602 114.5070 60.6094 62.9884 175.7971 10 T 4.1021 7.7363 109.2704 63.6096 69.1317 174.7072 11 Q 4.1082 8.2555 120.8060 52.5756 29.6864 173.6171 12 P 4.5538 0.0000 0.0000 60.7959 29.1458 176.3987 13 W 4.0333 7.7421 126.1452 60.7577 29.5494 177.2074 14 E 4.0067 8.4344 117.8915 59.8774 28.8186 179.0208 15 H 4.0385 7.9833 117.3336 59.2376 30.2586 177.0139 16 V 3.1225 7.2645 119.5964 66.2528 31.0803 177.7924 17 N 4.3606 8.7873 115.9723 56.0212 38.2410 177.2836 18 A 3.9646 8.0657 122.3859 55.2556 18.5300 179.6294 19 I 3.6041 7.7374 118.3381 64.5789 37.2336 178.4011 20 Q 3.9644 7.9128 119.9212 59.3230 28.9138 178.0691 21 E 3.9881 8.5848 120.3386 58.9428 29.5401 178.6087 22 A 4.0208 8.3315 121.4113 55.0590 18.4717 179.8168 23 R 3.8328 8.1311 116.6845 59.1477 29.8653 179.2019 24 R 3.8697 7.6738 117.4756 59.5599 30.4589 178.2551 25 L 4.1278 8.0201 118.7073 57.6621 41.4748 179.1622 26 L 3.9423 8.1583 120.4992 58.4754 41.7765 178.8961 27 N 4.4582 8.1568 114.8836 55.5627 38.5989 176.5625 28 L 4.3809 7.4307 118.0923 54.1305 42.3014 176.9817 29 S 4.3479 7.4051 115.3454 57.9212 63.6876 173.7023 30 R 4.6370 8.5081 123.6508 54.2951 31.8523 174.9482 31 D 5.0272 8.4737 121.2318 52.1513 44.4657 175.7757 32 T 4.3832 8.1528 114.6822 60.5901 71.3875 175.5691 33 A 3.9756 8.5661 123.7690 55.5138 18.4998 179.5890 34 A 4.0856 7.9546 118.4223 55.5106 18.5435 179.6378 35 E 4.5188 7.5834 117.9981 59.4581 29.4398 179.4007 36 M 4.3608 8.6533 118.8453 57.8090 31.7653 177.4339 37 N 4.6925 7.5574 115.5044 53.7663 39.9127 174.2730 38 E 4.4657 7.9152 120.2828 56.8088 31.1443 175.5488 39 T 5.2789 8.2540 109.4553 60.3632 72.0192 173.6874 40 V 4.5135 9.0782 115.4029 59.6381 36.3521 173.9216 41 E 4.9582 8.6233 123.7482 55.3460 30.9445 175.3275 42 V 4.5435 8.8158 119.2382 59.4201 36.7295 174.2576 43 I 4.4150 7.9094 122.0457 60.9397 37.4852 178.1096 44 S 4.4377 9.1794 121.8347 59.8815 63.1483 174.4237 45 E 4.6494 7.1644 116.7296 53.9547 31.1767 175.5965 46 M 4.2110 8.4988 122.5113 55.4039 32.9179 175.4488 47 F 4.4609 8.9411 126.3741 58.1248 39.7062 173.8276 48 D 4.6192 8.0786 127.3642 52.2652 42.8711 176.5464 49 L 3.7527 7.9423 125.2801 56.3094 42.0334 178.0496 50 Q 4.2628 7.4763 115.5278 56.3641 29.4578 176.0257 51 E 4.6717 7.1864 114.3544 54.4784 31.0176 171.9766 52 P 4.0953 0.0000 0.0000 61.9285 32.1468 176.3121 53 T 4.5194 7.9276 112.1753 61.1291 71.8470 174.2532 54 C 4.5965 9.0348 118.4593 56.6379 40.2379 174.9625 55 L 3.8915 7.5571 122.4460 58.8157 41.5281 179.2923 56 Q 4.0613 8.2241 116.9083 59.0746 28.5661 178.7346 57 T 3.9495 8.2350 117.1821 66.1281 68.4988 176.9569 58 R 3.4767 8.5680 121.6514 59.3883 30.0959 178.6866 59 L 4.1242 7.9716 118.7775 57.5536 41.5800 179.1836 60 E 3.9324 7.9897 119.2737 59.3920 29.7334 178.9638 61 L 4.0126 8.1315 119.3685 57.7732 41.3618 179.0515 62 Y 4.7119 7.6797 116.1135 61.2431 37.9317 178.5141 63 K 4.2550 8.2665 119.3190 59.7964 31.9968 179.4745 64 Q 4.1920 8.2468 117.0272 58.0537 28.5333 178.0764 65 G 3.7581 7.5842 104.4050 43.4009 0.0000 173.2059 66 L 4.8490 7.2562 121.0439 53.8194 42.6180 176.4854 67 R 4.6573 8.6899 117.7539 55.9648 33.2284 176.9400 68 G 3.8749 8.4961 106.4865 46.6631 0.0000 176.6079 69 S 4.1410 8.8177 115.6735 61.4855 62.8928 176.2318 70 L 4.0600 8.2993 122.2648 57.5365 41.3353 179.1588 71 T 3.9773 7.8598 109.4458 64.6498 68.1240 176.3235 72 K 4.1012 8.0719 120.7086 59.0762 32.3211 178.3814 73 L 4.2423 8.1597 117.9169 55.4188 41.5948 178.6236 74 K 4.0032 7.9798 121.1366 59.6594 32.1186 178.4177 75 G 3.6490 8.1061 105.1214 47.4739 0.0000 173.3880 76 P 4.2872 0.0000 0.0000 65.1854 31.5714 178.7991 77 L 4.1290 8.1737 117.4725 57.9844 41.4318 179.8752 78 T 3.9896 7.8401 115.6568 66.8540 68.3801 176.7180 79 M 4.1032 8.1300 120.6395 58.7833 32.0957 178.7758 80 M 4.1194 8.3973 118.6259 58.1705 32.0244 178.6642 81 A 4.2586 8.0135 120.8097 55.4611 18.5275 179.9368 82 S 4.0695 8.1812 113.7275 61.7902 62.9008 176.1776 83 H 3.8768 8.2978 121.1191 59.7309 29.3305 176.9524 84 Y 4.2365 7.6299 117.7906 60.5056 37.4541 178.0975 85 K 4.0454 8.1373 120.3078 59.6449 32.5318 178.3709 86 Q 4.3600 8.1092 115.4844 56.7876 29.0375 176.1790 87 H 4.9758 7.8130 115.2762 55.3588 29.6741 172.7382 88 C 4.8498 7.8536 116.0452 54.3921 44.2614 172.2728 89 P 4.6039 0.0000 0.0000 62.1272 31.4573 174.6121 90 P 4.5747 0.0000 0.0000 63.0394 31.9277 175.8627 91 T 4.5537 8.0476 110.1138 58.8403 71.1575 172.4426 92 P 4.3379 0.0000 0.0000 63.2423 31.6126 176.2691 93 E 4.7828 8.7663 122.6909 56.2396 29.9401 177.8974 94 T 4.1219 7.9394 111.3276 63.6120 70.1701 175.9757 95 S 4.5498 7.7031 118.5641 56.8987 61.6635 174.2379 96 C 4.6705 7.7839 116.8854 55.1409 38.7404 173.5184 97 A 4.8138 8.4339 127.0419 50.6469 20.5666 176.4097 98 T 4.8517 8.3476 113.0601 60.9907 71.3991 173.1584 99 Q 4.6029 9.1462 121.7482 55.1828 33.2798 172.7039 100 I 4.9009 8.3041 123.3560 59.5092 39.2097 175.1196 101 I 4.7643 8.6112 119.9441 58.9338 41.5695 175.0243 102 T 4.6207 8.3662 116.7257 61.4580 68.3599 174.9902 103 F 4.0876 9.1802 128.5423 61.3344 38.7448 177.0009 104 E 3.9454 8.1375 119.0013 59.7533 29.3501 179.0641 105 S 4.1553 8.0883 112.2675 61.1252 62.4941 175.5566 106 F 4.2140 8.2863 123.7021 61.0820 39.0164 177.2935 107 K 3.5725 7.7608 118.0984 59.2566 31.8363 178.9836 108 E 3.8637 7.7458 118.8101 59.2366 29.6321 178.3504 109 N 4.3375 8.4327 117.5570 56.4159 38.9950 176.7157 110 L 3.3325 7.5181 121.9318 57.4780 41.8303 178.6142 111 K 3.7796 7.8897 119.6055 59.8494 31.5406 178.4151 112 D 4.3904 8.0720 118.9584 57.3158 40.6736 178.7436 113 F 4.5180 8.1587 120.7675 61.3692 39.2442 177.3391 114 L 3.9978 7.8274 117.3056 57.3595 41.4517 178.8396 115 L 4.2518 7.5411 117.1535 55.9997 41.8420 177.7054 116 V 4.3286 6.8469 110.7434 60.8402 33.7470 176.2366 117 I 4.0384 7.3838 114.5729 59.7179 37.8338 174.3990 118 P 4.4878 0.0000 0.0000 62.6453 31.9896 176.5011 119 F 4.7949 8.6950 119.1238 60.2872 40.3079 176.0426 120 D 4.4427 8.5030 117.8334 54.6840 40.1214 178.2423 121 C 4.2656 8.5924 123.8443 55.8176 44.8943 172.6243 122 W 4.7040 6.6644 117.7309 55.5414 29.9983 175.8659 123 E 4.1365 8.1853 115.1929 55.4705 29.1612 176.7325 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 4 R 8.25 4.10 0.00 1.63 1.70 0.00 3.15 0.00 0.00 2.99 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.34 0.00 5 S 8.73 3.68 0.00 4.17 4.02 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 6 P 0.00 4.67 0.00 2.26 2.31 0.00 3.85 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 2.53 2.26 0.00 7 S 8.42 4.29 0.00 3.87 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 8 P 0.00 4.23 0.00 2.17 2.23 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 9 S 7.86 3.94 0.00 3.76 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 10 T 7.74 4.10 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 1.17 0.00 0.00 11 Q 8.26 4.11 0.00 2.02 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.44 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 12 P 0.00 4.55 0.00 2.02 2.23 0.00 3.38 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.12 0.00 13 W 7.74 4.03 0.00 3.41 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 E 8.43 4.01 0.00 1.99 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 0.00 2.48 2.37 0.00 15 H 7.98 4.04 0.00 2.97 3.19 0.00 5.69 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 16 V 7.26 3.12 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 0.36 0.00 0.00 -0.03 0.00 0.00 17 N 8.79 4.36 0.00 2.91 2.86 0.00 0.00 6.95 7.64 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 18 A 8.07 3.96 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 19 I 7.74 3.60 1.99 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 1.34 0.84 0.96 0.00 0.00 20 Q 7.91 3.96 0.00 2.27 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 21 E 8.58 3.99 0.00 2.21 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 0.00 2.31 2.37 0.00 22 A 8.33 4.02 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 23 R 8.13 3.83 0.00 2.02 1.99 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 24 R 7.67 3.87 0.00 1.98 2.10 0.00 3.27 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 25 L 8.02 4.13 0.00 1.74 1.72 0.94 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.16 3.94 0.00 1.93 1.87 0.81 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.16 4.46 0.00 2.85 2.87 0.00 0.00 7.09 7.47 0.00 0.00 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 7.43 4.38 0.00 1.62 1.72 0.93 1.19 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 29 S 7.41 4.35 0.00 4.00 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 30 R 8.51 4.64 0.00 1.81 1.90 0.00 3.22 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 31 D 8.47 5.03 0.00 2.69 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 32 T 8.15 4.38 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 1.21 0.00 0.00 33 A 8.57 3.98 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 34 A 7.95 4.09 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 35 E 7.58 4.52 0.00 1.96 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 2.18 2.12 0.00 36 M 8.65 4.36 0.00 2.06 2.30 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.93 0.00 37 N 7.56 4.69 0.00 2.90 2.83 0.00 0.00 7.20 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 38 E 7.92 4.47 0.00 1.95 1.84 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 2.24 2.38 0.00 39 T 8.25 5.28 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 1.24 0.00 0.00 40 V 9.08 4.51 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 0.52 0.00 0.00 0.77 0.00 0.00 41 E 8.62 4.96 0.00 1.94 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 2.19 2.40 0.00 42 V 8.82 4.54 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 0.84 0.00 0.00 0.96 0.00 0.00 43 I 7.91 4.41 1.72 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.96 0.90 0.00 0.00 44 S 9.18 4.44 0.00 3.92 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 45 E 7.16 4.65 0.00 2.02 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 0.00 2.24 2.34 0.00 46 M 8.50 4.21 0.00 2.02 2.06 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 2.63 2.57 0.00 47 F 8.94 4.46 0.00 3.18 3.18 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 48 D 8.08 4.62 0.00 2.63 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 0.00 0.00 0.00 49 L 7.94 3.75 0.00 1.60 1.66 1.03 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 7.48 4.26 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.21 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 51 E 7.19 4.67 0.00 1.78 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 2.06 2.20 0.00 52 P 0.00 4.10 0.00 1.09 0.91 0.00 3.36 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.37 0.00 53 T 7.93 4.52 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 1.15 0.00 0.00 54 C 9.03 4.60 0.00 3.10 3.10 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 55 L 7.56 3.89 0.00 1.45 1.52 0.16 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 8.22 4.06 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 57 T 8.23 3.95 4.32 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 1.14 0.00 0.00 58 R 8.57 3.48 0.00 1.77 1.70 0.00 2.85 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.23 0.00 59 L 7.97 4.12 0.00 1.81 1.82 1.17 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.99 3.93 0.00 2.22 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 2.30 2.36 0.00 61 L 8.13 4.01 0.00 1.48 1.76 0.82 0.91 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 62 Y 7.68 4.71 0.00 3.13 2.95 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 0.00 0.00 0.00 0.00 63 K 8.27 4.25 0.00 2.08 1.93 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.75 7.81 64 Q 8.25 4.19 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.30 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 65 G 7.58 3.76 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 0.00 0.00 0.00 66 L 7.26 4.85 0.00 1.77 1.79 1.08 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.69 4.66 0.00 1.73 1.76 0.00 2.50 0.00 0.00 2.97 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.13 0.00 68 G 8.50 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 69 S 8.82 4.14 0.00 4.10 4.17 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 0.00 0.00 0.00 70 L 8.30 4.06 0.00 2.14 1.98 1.05 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 71 T 7.86 3.98 4.28 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 1.25 0.00 0.00 72 K 8.07 4.10 0.00 1.78 1.94 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.59 7.81 73 L 8.16 4.24 0.00 1.88 1.73 1.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.98 4.00 0.00 2.11 1.85 0.00 1.59 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.57 7.81 75 G 8.11 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 76 P 0.00 4.29 0.00 2.19 2.33 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 77 L 8.17 4.13 0.00 1.98 1.83 1.03 0.69 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 78 T 7.84 3.99 4.43 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 1.25 0.00 0.00 79 M 8.13 4.10 0.00 2.09 2.26 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 2.77 2.60 0.00 80 M 8.40 4.12 0.00 2.31 2.42 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.53 0.00 81 A 8.01 4.26 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.18 4.07 0.00 4.03 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 83 H 8.30 3.88 0.00 2.99 3.00 0.00 5.78 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 84 Y 7.63 4.24 0.00 3.27 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 85 K 8.14 4.05 0.00 2.02 1.98 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.54 7.81 86 Q 8.11 4.36 0.00 1.80 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 87 H 7.81 4.98 0.00 2.91 3.07 0.00 5.64 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 C 7.85 4.85 0.00 3.04 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 89 P 0.00 4.60 0.00 2.35 2.15 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.11 0.00 90 P 0.00 4.57 0.00 2.12 2.09 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 91 T 8.05 4.55 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 0.79 0.00 0.00 92 P 0.00 4.34 0.00 2.21 2.23 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.93 0.00 93 E 8.77 4.78 0.00 2.00 1.95 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 0.00 2.51 2.21 0.00 94 T 7.94 4.12 4.23 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 1.21 0.00 0.00 95 S 7.70 4.55 0.00 3.85 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 96 C 7.78 4.67 0.00 2.91 2.97 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 97 A 8.43 4.81 1.22 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 0.00 0.00 98 T 8.35 4.85 4.26 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 1.19 0.00 0.00 99 Q 9.15 4.60 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 100 I 8.30 4.90 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.04 0.92 0.00 0.00 101 I 8.61 4.76 1.92 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 1.32 1.05 0.95 0.00 0.00 102 T 8.37 4.62 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 1.30 0.00 0.00 103 F 9.18 4.09 0.00 3.19 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 0.00 104 E 8.14 3.95 0.00 2.27 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 2.34 2.38 0.00 105 S 8.09 4.16 0.00 3.97 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 0.00 106 F 8.29 4.21 0.00 2.98 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 0.00 107 K 7.76 3.57 0.00 1.98 1.72 0.00 1.74 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.30 1.28 7.81 108 E 7.75 3.86 0.00 2.07 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 2.30 2.34 0.00 109 N 8.43 4.34 0.00 2.81 2.93 0.00 0.00 6.87 6.43 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 0.00 110 L 7.52 3.33 0.00 1.05 1.31 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 111 K 7.89 3.78 0.00 1.89 1.89 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.46 7.81 112 D 8.07 4.39 0.00 2.93 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 0.00 113 F 8.16 4.52 0.00 3.14 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 0.00 114 L 7.83 4.00 0.00 1.81 1.72 0.88 1.13 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 0.00 115 L 7.54 4.25 0.00 1.61 1.71 0.92 0.78 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 0.00 116 V 6.85 4.33 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 0.79 0.00 0.00 1.13 0.00 0.00 117 I 7.38 4.04 1.93 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 1.19 0.53 -0.33 0.00 0.00 118 P 0.00 4.49 0.00 2.42 2.25 0.00 4.20 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 119 F 8.69 4.79 0.00 2.96 2.95 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 0.00 0.00 0.00 0.00 120 D 8.50 4.44 0.00 2.63 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 0.00 0.00 0.00 0.00 121 C 8.59 4.27 0.00 2.41 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 0.00 122 W 6.66 4.70 0.00 3.57 3.34 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 0.00 123 E 8.19 4.14 0.00 2.31 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 2.37 2.50 0.00