NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1666 8.1727 122.0544 56.3146 34.1185 174.1249 2 V 4.5617 8.2256 127.1646 60.8955 32.0586 174.4690 3 F 4.4315 9.4095 127.9154 57.2998 40.4682 175.5626 4 G 3.9406 8.8402 109.1830 45.3921 0.0000 174.9835 5 R 3.4251 8.7103 119.2919 59.7194 30.0431 179.3566 6 C 4.3326 8.0654 115.6403 59.6055 38.8868 175.3872 7 E 3.8890 8.1405 120.5942 59.2775 29.1878 178.5071 8 L 3.4143 7.7037 119.4513 58.0173 42.1098 178.5384 9 A 3.8895 7.6920 120.2150 55.3632 18.1937 179.5320 10 A 3.9215 8.0371 118.8661 55.0786 18.5144 179.8039 11 A 3.9759 7.9402 119.4462 55.4269 18.4802 179.7660 12 M 3.7908 8.1802 117.6253 58.3098 32.0074 178.9313 13 K 3.8704 8.0891 119.7566 59.5095 32.1765 178.7951 14 R 3.8896 7.5244 117.4381 59.5666 30.0289 177.3167 15 H 4.5209 7.7455 112.8891 55.3031 28.7224 175.3845 16 G 3.8200 7.7394 108.6824 46.7342 0.0000 175.3491 17 L 3.8143 7.6635 122.0075 55.8467 42.2289 176.9384 18 D 4.5086 8.0838 117.6213 55.8007 41.3345 175.0925 19 N 4.2967 9.1093 124.2358 54.4922 38.3559 172.6870 20 Y 4.2091 8.7744 118.1711 58.0695 39.1281 175.5641 21 R 3.5284 8.9435 127.5699 57.3642 28.6381 176.6271 22 G 3.7418 8.1454 102.0559 45.3131 0.0000 173.5482 23 Y 4.3857 7.9469 118.9273 55.8874 38.6112 175.8383 24 S 4.6954 8.6266 119.8729 57.7320 64.2393 174.7572 25 L 4.2552 8.8649 123.1466 58.8526 41.6524 179.6614 26 G 3.9537 8.3946 104.7304 47.9838 0.0000 175.2125 27 N 4.4935 8.4051 118.5151 56.1305 38.5661 177.5332 28 W 3.7904 7.9163 119.7840 59.6826 29.2139 178.6712 29 V 3.5572 7.9248 118.2826 65.9585 30.9526 177.2814 30 C 2.6288 7.9580 118.0688 58.8923 42.8227 175.3246 31 A 3.8936 7.9230 122.1572 55.1866 17.9729 179.4191 32 A 4.0616 7.8516 120.5811 54.5524 18.4152 179.3467 33 K 2.4800 7.6999 117.9760 59.6541 31.7826 179.0029 34 F 4.5407 7.2504 116.5151 59.8689 38.8682 177.4918 35 E 4.3216 8.2612 118.5661 58.3665 30.0112 177.5171 36 S 4.5237 7.7545 109.4349 56.7225 64.4039 173.8401 37 N 4.0043 8.5260 118.1768 54.8821 37.5507 174.1601 38 F 4.1855 8.0586 111.5520 57.5620 36.1286 173.4058 39 N 5.3005 7.8182 120.3794 51.9860 39.4898 176.0545 40 T 4.0047 8.9540 117.1770 64.4148 69.0840 175.6456 41 Q 4.5345 8.0286 118.9328 55.5856 29.1249 175.1536 42 A 4.4102 7.7586 122.3132 52.1795 19.3704 177.3686 43 T 5.2358 8.1667 110.9267 59.2200 72.4481 173.2534 44 N 4.8246 8.1285 119.2356 52.3358 43.2290 173.4042 45 R 4.6439 8.6067 124.4507 55.7003 31.5070 175.1529 46 N 4.9568 8.9244 123.0035 51.6518 41.1391 176.0688 47 T 3.8302 8.7111 117.5050 67.0087 68.5490 175.2691 48 D 4.4264 7.9723 117.6665 54.0115 39.7639 176.9991 49 G 3.9037 8.3019 109.3100 45.0836 0.0000 173.6653 50 S 4.6881 8.2066 114.9417 57.8429 65.4851 173.2459 51 T 5.0030 8.7577 116.0060 61.9442 72.8002 172.8028 52 D 5.4217 9.0682 125.1235 53.2237 43.3129 175.1617 53 Y 4.9853 9.0007 120.3018 57.4334 42.0839 177.5358 54 G 4.3038 8.9763 111.2420 45.0158 0.0000 173.5538 55 I 4.1832 8.3432 116.5086 62.8969 37.9888 177.9651 56 L 4.6109 7.9368 116.4154 53.5160 42.6259 175.9848 57 Q 3.6279 7.9724 116.9009 57.1254 26.7551 174.4574 58 I 4.0732 7.9040 118.5798 61.3681 39.0687 176.6435 59 N 5.5097 9.0495 125.9257 52.9112 39.9643 175.7928 60 S 4.4797 8.9768 120.6492 60.9248 63.4814 175.2942 61 R 3.6365 8.4981 122.1457 58.6326 30.1601 178.2166 62 W 4.2421 8.0632 116.5154 56.9204 31.6467 176.8177 63 W 4.8795 8.1846 116.8840 57.4863 30.4753 173.8848 64 C 6.0289 8.0548 111.8527 53.5952 41.7151 172.7385 65 N 4.9929 8.9505 119.1021 52.3450 39.6599 174.8676 66 D 4.6925 8.7026 123.6941 52.0468 40.8030 176.3807 67 G 3.9674 8.4139 107.2871 46.4132 0.0000 174.3356 68 R 4.6464 8.5140 111.7800 56.0100 31.0021 176.0151 69 T 4.4340 7.4219 117.2499 60.9385 68.1639 172.8463 70 P 4.1228 0.0000 0.0000 65.1131 31.8225 179.1474 71 G 4.0463 7.6812 105.2852 45.0788 0.0000 173.1479 72 S 4.5265 7.3794 113.1041 56.7430 65.2119 173.9001 73 R 4.4593 8.1622 120.0702 54.2895 32.1133 176.0017 74 N 5.0678 7.8439 116.8996 52.5166 37.5567 175.3083 75 L 4.0930 8.6207 120.4488 57.6106 42.3918 178.2422 76 C 4.6151 8.4239 113.9784 56.3775 41.1178 173.1372 77 N 4.0797 7.9715 116.5447 53.1563 36.1330 173.6111 78 I 4.4289 7.0785 116.3704 58.7953 41.8293 171.6414 79 P 4.6895 0.0000 0.0000 62.7850 31.8926 178.1287 80 C 4.0456 9.0058 119.7176 59.9365 34.9495 176.6745 81 S 3.8797 7.8588 115.3038 61.2709 62.3089 176.1678 82 A 4.1009 7.8484 123.2257 54.3276 17.8411 178.5995 83 L 4.2903 8.1139 116.6509 55.5654 41.7511 177.7982 84 L 5.4938 7.4698 117.3651 53.7635 42.4709 176.8961 85 S 4.3356 7.7880 113.8391 57.8973 62.8686 174.2725 86 S 4.1768 8.5965 119.8851 60.2623 63.0439 173.5283 87 D 4.7173 7.5473 121.2861 52.8898 40.8931 176.4982 88 I 3.9703 8.3077 120.6580 61.9242 37.7159 177.3143 89 T 3.6484 8.1293 118.9889 67.2122 68.4000 175.7384 90 A 3.9645 7.9022 121.5541 55.2706 18.4800 179.6658 91 S 4.0723 7.9355 113.1664 61.7725 63.0500 176.9851 92 V 3.3529 8.1314 121.2736 65.9048 30.9042 177.8682 93 N 4.2120 8.3670 116.7029 56.3534 38.3729 176.6535 94 C 4.2689 8.3360 119.7403 59.4702 44.8926 175.2753 95 A 4.1106 8.0836 122.4601 55.3258 17.6865 179.7373 96 K 3.6481 7.4513 115.4979 59.3619 32.2054 179.4456 97 K 4.2109 7.5623 118.6436 59.2491 32.1433 179.3040 98 I 2.9253 7.3456 120.2952 64.2304 36.5737 178.9530 99 V 3.7548 8.0722 119.4792 64.5376 31.0966 178.0076 100 S 4.4057 7.5670 113.0100 60.2501 62.9353 175.3521 101 D 4.5315 7.7799 120.4626 55.9599 40.9199 175.6040 102 G 3.6763 7.9039 109.2903 45.6980 0.0000 174.2019 103 N 4.7808 8.3911 115.9424 51.8542 39.6596 175.7419 104 G 3.8295 7.8548 107.8578 45.8407 0.0000 175.7777 105 M 3.9160 7.7301 120.2057 56.5302 31.7669 178.0269 106 N 4.6792 7.8506 116.1650 55.9182 38.8063 176.2558 107 A 3.8950 7.5137 119.8558 53.4685 18.8046 177.6079 108 W 4.6788 8.2579 117.3135 54.8079 30.7744 177.1852 109 V 3.7965 8.5445 125.3406 64.6401 30.8635 178.0614 110 A 4.0900 8.4461 121.2175 54.3079 18.2246 179.2969 111 W 4.0507 8.3053 126.7320 60.7178 30.6628 177.7433 112 R 3.4951 7.8607 116.7208 59.6065 29.6281 177.7599 113 N 4.5249 7.9274 113.7729 54.6269 38.8694 175.9751 114 R 4.4333 8.0344 115.8134 55.3666 32.7328 174.8479 115 C 4.6969 7.7833 113.9480 58.1049 42.0705 173.8192 116 K 3.1471 6.9779 119.6493 57.7703 31.5573 176.1983 117 G 3.8286 8.7290 113.3747 46.2995 0.0000 172.7494 118 T 4.4823 7.5750 109.4841 59.6582 71.0990 175.7274 119 D 4.6735 8.1833 121.2231 53.5328 39.3141 176.4910 120 V 4.2297 8.0963 117.6864 63.4351 31.9982 177.4161 121 Q 4.1723 8.2549 117.5301 58.5252 28.4193 178.0307 122 A 3.9742 7.9030 121.8004 54.8858 18.1019 179.5545 123 W 4.3104 7.9641 116.3759 58.6901 29.4208 176.9215 124 I 4.4316 7.7295 110.8387 60.2442 38.3506 175.8496 125 R 4.1078 7.3426 121.5875 58.0648 30.2252 176.7810 126 G 4.0483 8.9601 110.7553 45.5978 0.0000 174.5126 127 C 4.4121 7.6700 116.5660 56.4135 40.8576 173.5710 128 R 4.3358 8.3474 123.5187 55.3860 29.3911 176.3258 129 L 4.3686 8.1924 124.5919 54.9790 42.6792 176.6675 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 K 8.17 4.17 0.00 1.74 1.64 0.00 1.33 0.00 0.00 1.10 0.00 0.00 2.43 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.74 1.13 7.81 2 V 8.23 4.56 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 0.95 0.00 0.00 0.98 0.00 0.00 3 F 9.41 4.43 0.00 2.84 2.77 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 4 G 8.84 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 5 R 8.71 3.43 0.00 2.04 1.99 0.00 3.66 0.00 0.00 3.73 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.94 0.00 6 C 8.07 4.33 0.00 3.01 3.12 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 7 E 8.14 3.89 0.00 2.07 2.24 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 2.71 2.46 0.00 8 L 7.70 3.41 0.00 1.33 1.28 0.01 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.69 3.89 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 10 A 8.04 3.92 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 11 A 7.94 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 12 M 8.18 3.79 0.00 1.85 2.08 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.26 0.00 13 K 8.09 3.87 0.00 1.85 1.81 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.41 1.43 7.81 14 R 7.52 3.89 0.00 1.91 1.96 0.00 3.19 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 1.56 1.62 0.00 15 H 7.75 4.52 0.00 3.08 3.14 0.00 5.98 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 16 G 7.74 3.82 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 0.00 0.00 0.00 17 L 7.66 3.81 0.00 1.41 0.66 nan -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.08 4.51 0.00 2.64 2.64 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 0.00 0.00 0.00 0.00 19 N 9.11 4.30 0.00 3.09 2.84 0.00 0.00 6.40 6.93 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 20 Y 8.77 4.21 0.00 3.22 2.94 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 21 R 8.94 3.53 0.00 1.95 2.17 0.00 3.61 0.00 0.00 3.38 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 22 G 8.15 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 23 Y 7.95 4.39 0.00 3.37 2.57 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 24 S 8.63 4.70 0.00 4.10 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 25 L 8.86 4.26 0.00 1.98 1.84 1.01 1.35 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 26 G 8.39 3.95 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 0.00 0.00 0.00 27 N 8.41 4.49 0.00 2.84 2.58 0.00 0.00 6.93 7.04 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 28 W 7.92 3.79 0.00 3.40 3.06 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 29 V 7.92 3.56 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 1.05 0.00 0.00 0.98 0.00 0.00 30 C 7.96 2.63 0.00 2.49 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 31 A 7.92 3.89 1.05 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 32 A 7.85 4.06 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 33 K 7.70 2.48 0.00 0.79 0.74 0.00 0.61 0.00 0.00 1.40 0.00 0.00 2.75 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 0.35 7.81 34 F 7.25 4.54 0.00 3.05 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 35 E 8.26 4.32 0.00 1.97 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 2.52 2.50 0.00 36 S 7.75 4.52 0.00 4.14 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 0.00 37 N 8.53 4.00 0.00 2.79 2.89 0.00 0.00 7.22 7.11 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 38 F 8.06 4.19 0.00 3.33 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 39 N 7.82 5.30 0.00 2.84 2.91 0.00 0.00 6.98 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 40 T 8.95 4.00 4.44 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 1.57 0.00 0.00 41 Q 8.03 4.53 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 42 A 7.76 4.41 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 43 T 8.17 5.24 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 1.27 0.00 0.00 44 N 8.13 4.82 0.00 2.84 2.68 0.00 0.00 6.61 7.66 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 45 R 8.61 4.64 0.00 1.74 1.78 0.00 3.38 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 46 N 8.92 4.96 0.00 2.86 2.70 0.00 0.00 6.85 6.61 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 47 T 8.71 3.83 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 1.21 0.00 0.00 48 D 7.97 4.43 0.00 2.76 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 49 G 8.30 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 50 S 8.21 4.69 0.00 4.03 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 51 T 8.76 5.00 4.10 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 0.60 0.00 0.00 52 D 9.07 5.42 0.00 2.67 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 53 Y 9.00 4.99 0.00 2.95 2.86 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 54 G 8.98 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 0.00 0.00 0.00 0.00 55 I 8.34 4.18 1.93 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 1.36 1.41 0.88 0.00 0.00 56 L 7.94 4.61 0.00 1.77 1.83 0.82 0.61 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 57 Q 7.97 3.63 0.00 2.43 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.74 0.00 58 I 7.90 4.07 2.03 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 1.22 0.93 1.02 0.00 0.00 59 N 9.05 5.51 0.00 3.07 2.99 0.00 0.00 6.98 7.23 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 60 S 8.98 4.48 0.00 4.03 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 0.00 61 R 8.50 3.64 0.00 1.70 2.06 0.00 2.58 0.00 0.00 2.47 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.00 62 W 8.06 4.24 0.00 2.19 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 0.00 0.00 0.00 63 W 8.18 4.88 0.00 3.60 3.29 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 64 C 8.05 6.03 0.00 3.06 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 65 N 8.95 4.99 0.00 2.80 2.69 0.00 0.00 7.10 8.05 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 66 D 8.70 4.69 0.00 2.79 2.59 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 67 G 8.41 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 68 R 8.51 4.65 0.00 1.89 1.95 0.00 3.04 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 69 T 7.42 4.43 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 1.10 0.00 0.00 70 P 0.00 4.12 0.00 1.99 2.09 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 71 G 7.68 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 72 S 7.38 4.53 0.00 3.82 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 73 R 8.16 4.46 0.00 1.81 1.84 0.00 3.11 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 74 N 7.84 5.07 0.00 2.78 2.64 0.00 0.00 6.94 6.66 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 75 L 8.62 4.09 0.00 1.46 1.78 0.43 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 76 C 8.42 4.62 0.00 3.38 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 77 N 7.97 4.08 0.00 2.83 2.83 0.00 0.00 6.65 7.10 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 78 I 7.08 4.43 2.07 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 1.46 1.33 0.94 0.00 0.00 79 P 0.00 4.69 0.00 2.19 2.12 0.00 3.74 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 1.97 0.00 80 C 9.01 4.05 0.00 2.33 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 81 S 7.86 3.88 0.00 4.03 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 82 A 7.85 4.10 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 83 L 8.11 4.29 0.00 1.88 1.79 0.98 0.68 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 84 L 7.47 5.49 0.00 1.89 1.76 1.22 0.99 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 85 S 7.79 4.34 0.00 3.84 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 86 S 8.60 4.18 0.00 3.95 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 87 D 7.55 4.72 0.00 2.68 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 88 I 8.31 3.97 1.70 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.42 0.80 0.00 0.00 89 T 8.13 3.65 4.22 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 nan 0.00 0.00 90 A 7.90 3.96 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 91 S 7.94 4.07 0.00 3.96 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 92 V 8.13 3.35 1.97 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 0.71 0.00 0.00 0.62 0.00 0.00 93 N 8.37 4.21 0.00 2.83 2.80 0.00 0.00 6.66 7.49 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 94 C 8.34 4.27 0.00 3.08 3.11 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 95 A 8.08 4.11 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 96 K 7.45 3.65 0.00 1.67 1.56 0.00 1.31 0.00 0.00 1.13 0.00 0.00 2.30 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.30 0.85 7.81 97 K 7.56 4.21 0.00 1.73 1.96 0.00 1.74 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.61 1.69 7.81 98 I 7.35 2.93 1.50 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.16 -0.27 0.00 0.00 99 V 8.07 3.75 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 1.46 0.00 0.00 0.84 0.00 0.00 100 S 7.57 4.41 0.00 4.22 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 0.00 101 D 7.78 4.53 0.00 3.05 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 0.00 102 G 7.90 3.68 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 0.00 103 N 8.39 4.78 0.00 2.72 2.83 0.00 0.00 7.09 7.72 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 0.00 104 G 7.85 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 105 M 7.73 3.92 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.94 0.00 106 N 7.85 4.68 0.00 2.93 3.03 0.00 0.00 6.90 8.53 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 0.00 107 A 7.51 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 W 8.26 4.68 0.00 3.54 3.14 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 0.00 0.00 0.00 109 V 8.54 3.80 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 0.89 0.00 0.00 0.97 0.00 0.00 110 A 8.45 4.09 1.49 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 0.00 111 W 8.31 4.05 0.00 3.32 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.86 3.50 0.00 2.11 2.19 0.00 3.33 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 113 N 7.93 4.52 0.00 2.78 2.77 0.00 0.00 6.87 7.78 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 0.00 114 R 8.03 4.43 0.00 1.61 1.07 0.00 2.89 0.00 0.00 2.87 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.48 0.00 115 C 7.78 4.70 0.00 2.58 3.12 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 0.00 116 K 6.98 3.15 0.00 0.79 1.37 0.00 1.54 0.00 0.00 1.51 0.00 0.00 3.02 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.17 0.85 7.81 117 G 8.73 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 118 T 7.58 4.48 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 1.25 0.00 0.00 119 D 8.18 4.67 0.00 2.83 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.10 4.23 2.34 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 1.14 0.00 0.00 1.08 0.00 0.00 121 Q 8.25 4.17 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 122 A 7.90 3.97 1.17 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 0.00 0.00 123 W 7.96 4.31 0.00 3.61 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 0.00 124 I 7.73 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 1.40 0.92 1.02 0.00 0.00 125 R 7.34 4.11 0.00 1.94 1.90 0.00 3.14 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 126 G 8.96 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 0.00 127 C 7.67 4.41 0.00 3.02 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 0.00 128 R 8.35 4.34 0.00 1.77 1.87 0.00 3.18 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 129 L 8.19 4.37 0.00 1.60 1.49 0.92 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