NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3731 8.1776 115.2803 57.9288 62.6945 174.1992 2 I 3.4289 7.8900 122.9477 62.8771 37.7413 176.5684 3 Q 4.0598 8.0161 120.3779 57.5514 29.8360 178.0586 4 A 4.0579 7.3619 120.7054 54.2270 18.9768 178.1107 5 E 3.6087 7.2487 117.0956 56.0816 29.6070 178.1706 6 E 3.9143 8.3370 121.6357 58.3931 30.0610 177.6272 7 W 4.5382 7.2198 115.2665 56.9312 28.6230 174.8702 8 Y 4.9903 7.6000 122.4130 57.0978 37.6551 175.2559 9 F 4.4338 9.2614 126.4971 56.4993 40.6819 178.2741 10 G 3.3723 5.5549 110.6523 46.6853 0.0000 176.5563 11 K 4.4467 8.5615 119.6428 54.5312 30.3231 175.1460 12 I 4.6577 7.3705 114.7077 57.9268 40.9800 176.9639 13 T 4.2373 8.1072 112.5369 61.1942 70.9798 175.6917 14 R 3.8137 9.1263 121.8778 59.5205 29.9385 178.6019 15 R 3.8617 7.9195 118.0875 59.3769 30.1000 177.9469 16 E 3.9395 8.3017 119.4085 59.2224 29.6575 178.8931 17 S 4.0817 8.2467 114.4138 61.6222 62.9968 176.4254 18 E 3.9855 8.4681 122.3471 58.9154 28.9390 179.2400 19 R 3.9046 7.9795 118.3271 59.4900 30.2346 178.3418 20 L 4.1622 7.9140 117.7973 57.6258 41.7065 179.0159 21 L 4.2351 7.9135 117.7223 56.3954 42.0665 177.4378 22 L 4.5203 7.9127 119.0167 53.9167 42.8834 176.0978 23 N 4.7624 7.6394 117.2496 51.6165 40.3654 174.9259 24 A 4.1477 8.8414 128.8586 55.4445 18.4313 178.1340 25 E 4.1221 8.5026 113.7784 58.0579 29.8754 176.8038 26 N 4.4961 8.2159 118.4054 52.0261 39.0231 173.5279 27 P 4.5472 0.0000 0.0000 61.3810 32.7690 175.5851 28 R 3.9678 8.1462 117.6567 58.0250 30.2826 177.6635 29 G 4.1037 9.1375 110.0024 46.3551 0.0000 173.3519 30 T 4.6410 7.5889 117.4285 64.0597 69.5928 173.3839 31 F 5.5225 8.8408 119.9012 56.0254 42.2163 172.6417 32 L 4.7155 8.6714 117.6200 54.8374 44.0240 174.1099 33 V 5.1805 9.0703 120.0778 61.3451 34.7930 174.5399 34 R 4.9674 9.3090 123.0090 54.4404 33.5746 173.9548 35 E 4.7033 8.9012 119.3020 56.1938 30.1321 177.4072 36 S 4.3075 8.3309 117.2322 58.2873 62.6771 174.3537 37 E 4.1786 8.9669 125.2822 58.8941 29.4670 178.0244 38 T 4.4245 7.6637 105.0864 61.2217 70.6957 173.8328 39 T 4.2383 8.1956 120.5527 61.6480 67.8433 174.2249 40 K 4.1225 8.3458 126.4252 58.0378 32.9513 178.0062 41 G 3.7536 8.7479 108.9549 45.4112 0.0000 172.8786 42 A 4.7056 7.5257 121.7247 50.5357 21.7775 176.0392 43 Y 5.2265 8.5030 118.1909 56.7049 41.5886 174.1966 44 C 5.1847 9.5656 120.1185 57.9131 35.2889 172.2314 45 L 5.1073 9.2517 129.0392 53.9908 43.3737 174.9084 46 S 5.1977 9.0949 123.7514 56.9738 65.1497 173.6670 47 V 5.0849 8.9216 124.5977 61.1005 34.8712 174.6882 48 S 5.0455 9.1568 122.5083 58.0477 65.0728 172.3843 49 D 5.1806 9.3046 120.5178 53.3099 45.4706 173.4841 50 F 5.5642 8.7991 121.9820 57.6342 42.4931 172.4776 51 D 4.5746 7.2464 123.3721 52.4368 42.2077 175.8848 52 N 4.3888 8.7120 115.7407 55.7877 38.9339 177.1437 53 A 4.0497 8.0227 120.5544 54.8698 18.6768 178.5568 54 K 4.1264 9.1633 113.8951 55.8179 33.7050 179.1026 55 G 3.2927 7.8069 108.2281 44.6664 0.0000 171.8040 56 L 4.8967 8.4999 123.4233 55.3227 42.9201 177.2722 57 N 5.0614 9.3719 122.9483 51.9440 41.4939 173.0250 58 V 4.8993 8.2159 117.9157 61.0204 34.5609 174.5120 59 K 4.5804 9.0141 125.9895 54.7959 35.5737 174.7126 60 H 5.2613 8.1643 119.1143 54.1608 32.1217 172.6525 61 Y 4.7076 8.7884 119.6068 55.9052 41.1726 174.6501 62 K 4.6422 8.8598 125.7988 56.2969 34.0933 175.2194 63 I 4.9314 8.8646 128.5748 59.8974 39.2496 175.2338 64 R 4.5739 8.8008 126.9344 54.9715 32.1118 175.5900 65 K 4.5346 8.0258 121.9629 54.5826 34.7891 175.7138 66 L 4.4334 8.6621 127.9571 53.8044 42.7704 177.8881 67 D 4.3652 8.5123 121.4166 57.4590 40.9436 178.0252 68 S 4.2289 7.9061 113.3136 59.1804 63.0395 173.8117 69 G 4.1681 8.1957 110.1014 45.6651 0.0000 174.9524 70 G 4.0912 8.0466 105.9139 45.7901 0.0000 172.7723 71 F 5.5509 9.0596 120.7766 55.8378 42.1328 174.3311 72 Y 5.1169 8.3869 118.1880 57.4693 41.0587 174.8267 73 I 4.2604 9.1003 120.2052 62.4628 38.5720 176.0579 74 T 4.7600 7.7702 114.5627 59.7977 68.9829 175.2118 75 S 2.8989 8.5206 122.6142 60.7041 63.0301 175.7182 76 R 3.9355 7.3592 118.5803 58.1466 29.9183 176.7420 77 T 4.1347 7.5357 113.7315 61.2797 69.1832 172.9597 78 Q 4.7977 7.6141 123.6481 53.8640 31.5667 175.2144 79 F 4.9344 8.6763 117.5425 55.8496 42.8228 176.0525 80 N 4.7093 8.9818 119.5476 55.3260 39.2209 175.9077 81 S 4.4167 7.8975 111.8966 55.5244 67.4108 174.7123 82 L 3.4749 7.1563 123.9555 58.2068 41.7331 179.2016 83 Q 4.1930 7.9236 117.5123 59.2473 28.6530 178.7491 84 Q 3.8977 8.0949 119.0103 58.5485 28.7145 178.5217 85 L 2.4400 7.4338 121.0845 57.6538 41.9210 179.1774 86 V 3.1690 7.3917 116.8115 65.7766 31.5186 177.4868 87 A 3.9877 7.9096 120.5924 55.1222 18.1926 178.9560 88 Y 3.7922 7.7826 118.2144 61.0014 38.8446 177.5566 89 Y 4.5630 7.6362 117.0959 58.9636 37.8288 177.2774 90 S 4.5531 7.3081 116.5009 58.7493 63.2575 174.6200 91 K 4.2777 7.5596 119.3413 56.3391 34.0826 175.9331 92 H 4.6657 7.8157 115.8069 53.6102 31.1564 174.8175 93 A 4.0639 8.6742 127.0314 53.6559 20.0429 179.8879 94 D 4.4509 7.8372 112.7597 55.8796 40.5419 175.4355 95 G 3.9215 8.9625 116.7941 46.5022 0.0000 173.5883 96 L 3.8915 7.9275 121.3889 53.8780 42.2108 177.9195 97 C 3.9248 8.9142 116.1948 61.2801 29.6840 173.3039 98 H 4.4238 7.1002 116.8357 55.0653 32.8814 173.5963 99 R 4.1623 7.6685 120.0526 55.5841 30.1739 176.0020 100 L 4.1536 8.6580 121.0988 55.2634 41.4024 176.0418 101 T 4.7385 8.3726 113.1611 62.3030 70.2922 174.0325 102 T 4.9115 7.6107 110.8596 58.3865 73.0968 172.6399 103 V 3.5256 8.3149 122.9865 62.6097 32.3240 175.2523 104 C 4.1440 8.3362 128.9844 59.1202 31.7041 171.8726 105 P 4.5325 0.0000 0.0000 62.5678 31.8391 176.4970 106 T 4.2031 8.3852 116.3808 64.0882 68.3910 174.6921 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 S 8.18 4.37 0.00 3.83 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 2 I 7.89 3.43 1.38 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.09 0.70 0.00 0.00 3 Q 8.02 4.06 0.00 2.01 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.16 0.00 0.00 0.00 0.00 0.00 2.37 2.19 0.00 4 A 7.36 4.06 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 5 E 7.25 3.61 0.00 1.16 1.12 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 1.93 1.47 0.00 6 E 8.34 3.91 0.00 2.01 2.00 0.00 0.00 0.00 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 2.27 0.00 7 W 7.22 4.54 0.00 3.54 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 8 Y 7.60 4.99 0.00 2.75 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 9 F 9.26 4.43 0.00 2.74 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 10 G 5.55 3.37 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 0.00 11 K 8.56 4.45 0.00 1.78 1.78 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.60 7.81 12 I 7.37 4.66 1.92 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 1.52 0.88 1.00 0.00 0.00 13 T 8.11 4.24 4.39 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 1.22 0.00 0.00 14 R 9.13 3.81 0.00 1.78 1.91 0.00 2.77 0.00 0.00 2.87 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.36 0.00 15 R 7.92 3.86 0.00 1.91 1.91 0.00 3.23 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 16 E 8.30 3.94 0.00 2.15 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 0.00 2.35 2.41 0.00 17 S 8.25 4.08 0.00 4.05 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 0.00 18 E 8.47 3.99 0.00 2.18 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 2.38 2.59 0.00 19 R 7.98 3.90 0.00 1.89 2.13 0.00 3.27 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 20 L 7.91 4.16 0.00 1.78 1.71 1.09 0.95 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 21 L 7.91 4.24 0.00 1.67 1.71 0.90 0.86 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 22 L 7.91 4.52 0.00 1.70 1.69 0.95 0.87 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 23 N 7.64 4.76 0.00 2.72 2.68 0.00 0.00 6.90 8.42 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 24 A 8.84 4.15 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 25 E 8.50 4.12 0.00 2.08 2.00 0.00 0.00 0.00 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 2.34 0.00 26 N 8.22 4.50 0.00 2.78 2.77 0.00 0.00 7.00 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 27 P 0.00 4.55 0.00 2.19 2.15 0.00 3.70 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 2.07 1.97 0.00 28 R 8.15 3.97 0.00 1.54 1.60 0.00 3.27 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.68 0.00 29 G 9.14 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 0.00 0.00 0.00 0.00 30 T 7.59 4.64 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 1.18 0.00 0.00 31 F 8.84 5.52 0.00 3.22 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 32 L 8.67 4.72 0.00 0.88 0.92 0.74 0.29 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 33 V 9.07 5.18 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 1.24 0.00 0.00 1.13 0.00 0.00 34 R 9.31 4.97 0.00 2.00 1.97 0.00 3.02 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 35 E 8.90 4.70 0.00 1.95 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 2.60 2.50 0.00 36 S 8.33 4.31 0.00 3.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.97 4.18 0.00 1.98 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 2.31 2.28 0.00 38 T 7.66 4.42 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 1.20 0.00 0.00 39 T 8.20 4.24 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 1.17 0.00 0.00 40 K 8.35 4.12 0.00 1.83 1.80 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.37 7.81 41 G 8.75 3.75 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 0.00 0.00 0.00 42 A 7.53 4.71 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 43 Y 8.50 5.23 0.00 3.22 3.21 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 44 C 9.57 5.18 0.00 2.98 2.80 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 45 L 9.25 5.11 0.00 1.87 1.83 0.97 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 46 S 9.09 5.20 0.00 3.79 3.75 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 47 V 8.92 5.08 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 1.16 0.00 0.00 1.08 0.00 0.00 48 S 9.16 5.05 0.00 3.94 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 49 D 9.30 5.18 0.00 2.76 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 50 F 8.80 5.56 0.00 3.08 2.87 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 51 D 7.25 4.57 0.00 2.68 2.67 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 52 N 8.71 4.39 0.00 2.71 2.90 0.00 0.00 6.88 7.35 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 53 A 8.02 4.05 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 54 K 9.16 4.13 0.00 1.55 1.79 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.30 7.81 55 G 7.81 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 0.00 0.00 0.00 56 L 8.50 4.90 0.00 1.95 1.71 1.10 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 57 N 9.37 5.06 0.00 2.78 2.83 0.00 0.00 5.97 7.35 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 58 V 8.22 4.90 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 0.70 0.00 0.00 0.92 0.00 0.00 59 K 9.01 4.58 0.00 1.65 1.20 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.58 7.81 60 H 8.16 5.26 0.00 2.85 3.07 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.79 4.71 0.00 2.92 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.86 4.64 0.00 1.88 1.72 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.65 7.81 63 I 8.86 4.93 2.17 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.89 1.22 0.00 0.00 64 R 8.80 4.57 0.00 0.67 1.42 0.00 3.15 0.00 0.00 3.06 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.56 0.00 65 K 8.03 4.53 0.00 1.25 1.45 0.00 1.22 0.00 0.00 0.61 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.08 1.26 7.81 66 L 8.66 4.43 0.00 1.84 1.62 1.03 0.91 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 67 D 8.51 4.37 0.00 2.65 2.72 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 68 S 7.91 4.23 0.00 3.86 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 69 G 8.20 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 0.00 0.00 0.00 70 G 8.05 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 0.00 0.00 0.00 71 F 9.06 5.55 0.00 3.23 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 72 Y 8.39 5.12 0.00 3.39 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 73 I 9.10 4.26 1.94 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 1.47 1.27 0.97 0.00 0.00 74 T 7.77 4.76 4.33 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 1.31 0.00 0.00 75 S 8.52 2.90 0.00 3.55 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.36 3.94 0.00 1.79 1.96 0.00 3.19 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 77 T 7.54 4.13 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 0.71 0.00 0.00 78 Q 7.61 4.80 0.00 1.83 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.80 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 79 F 8.68 4.93 0.00 3.23 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 80 N 8.98 4.71 0.00 3.04 2.98 0.00 0.00 6.73 7.57 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 81 S 7.90 4.42 0.00 3.90 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 82 L 7.16 3.47 0.00 0.99 1.51 0.89 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 7.92 4.19 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.66 2.92 0.00 84 Q 8.09 3.90 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 85 L 7.43 2.44 0.00 1.64 1.66 1.24 0.70 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 86 V 7.39 3.17 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 -0.07 0.00 0.00 87 A 7.91 3.99 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 88 Y 7.78 3.79 0.00 2.67 2.19 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 89 Y 7.64 4.56 0.00 2.97 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 90 S 7.31 4.55 0.00 3.86 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 91 K 7.56 4.28 0.00 1.46 1.50 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.23 7.81 92 H 7.82 4.67 0.00 2.58 3.13 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.67 4.06 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 94 D 7.84 4.45 0.00 3.08 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 0.00 0.00 0.00 95 G 8.96 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 96 L 7.93 3.89 0.00 1.59 1.22 0.35 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 97 C 8.91 3.92 0.00 3.36 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 98 H 7.10 4.42 0.00 3.04 3.16 0.00 5.76 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 7.67 4.16 0.00 2.08 1.94 0.00 3.24 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 100 L 8.66 4.15 0.00 1.15 0.31 0.20 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.37 4.74 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 1.34 0.00 0.00 102 T 7.61 4.91 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 1.26 0.00 0.00 103 V 8.31 3.53 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 0.87 0.00 0.00 0.97 0.00 0.00 104 C 8.34 4.14 0.00 2.87 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 0.00 105 P 0.00 4.53 0.00 2.11 1.98 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 2.03 2.11 0.00 106 T 8.39 4.20 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 1.19 0.00 0.00