NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 C 5.0434 8.2976 118.1081 56.5406 41.8450 172.3937 4 S 4.0011 7.7582 111.4724 55.3161 66.5003 168.0533 5 V 4.3606 8.6859 119.5524 60.5061 35.2595 174.0841 6 D 5.0842 8.5297 123.3677 52.7027 42.4809 175.4091 7 I 4.5246 8.4020 123.9778 59.0682 41.4625 174.0370 8 Q 5.1852 8.5849 126.4616 54.0322 32.6575 174.6292 9 G 4.3708 9.0126 110.4551 44.6519 0.0000 172.5851 10 N 6.2600 8.4241 124.3160 50.8159 40.2729 175.5315 11 D 4.6130 8.8262 116.7379 56.5308 41.0595 177.6709 12 Q 4.4335 8.6446 118.1839 55.3773 29.1122 175.5278 13 M 3.1036 7.8163 116.3188 55.6259 29.8443 176.7776 14 Q 4.5463 7.3583 114.7193 54.9042 32.1081 174.1241 15 F 6.0053 8.7699 118.4275 56.1923 40.4954 175.0454 16 N 4.9485 8.7837 119.9512 52.7418 37.4403 174.6170 17 T 4.6204 7.6288 110.2745 61.9170 70.3352 172.3419 18 N 5.4262 8.6308 124.2515 52.0884 39.0758 173.2872 19 A 5.0886 8.0993 119.0159 52.2607 22.7069 176.6751 20 I 4.6516 9.4984 124.3753 59.9025 40.5493 174.9263 21 T 4.9415 8.5574 122.2616 61.7658 71.1124 173.4296 22 V 3.6788 8.8011 127.4196 60.6872 33.3247 174.6239 23 D 4.4488 8.6578 128.6510 53.9175 41.2649 176.7842 24 K 4.0533 8.7676 126.8399 59.0707 32.4897 177.5875 25 S 4.3860 8.5279 113.7448 59.3662 63.5618 173.6301 26 C 4.6208 8.4623 120.0858 56.6502 41.9022 173.5488 27 K 4.2196 8.5101 121.7377 57.3111 33.4608 176.1383 28 Q 5.0129 7.8260 116.8910 54.1008 33.1825 174.1202 29 F 4.8436 8.3812 123.1805 56.6537 43.2139 173.4310 30 T 4.6844 7.4210 121.5443 61.4602 71.7605 173.0285 31 V 4.0136 8.2124 125.9809 61.0239 33.9586 174.0840 32 N 4.6519 8.6574 126.9057 51.7170 39.7319 173.5152 33 L 5.0432 8.5580 127.4252 53.6867 44.1229 175.4965 34 S 5.0950 8.8695 119.3332 57.0057 67.4393 172.5100 35 H 5.6048 8.6768 120.3713 52.9420 31.6347 170.4048 36 P 4.6771 0.0000 0.0000 61.1820 32.3976 177.0566 37 G 4.6139 7.6041 111.7517 45.2186 0.0000 171.0826 38 N 4.9215 8.8143 115.0749 52.4169 39.9976 175.3117 39 L 4.1446 8.1563 120.4138 53.4433 42.4711 174.8756 40 P 4.3576 0.0000 0.0000 62.7073 32.9176 177.0254 41 K 3.8695 8.6660 120.3900 60.0491 31.9281 178.5187 42 N 4.3196 8.2300 114.6728 55.6195 38.9500 175.6265 43 V 4.2807 7.1192 117.4803 63.6977 33.5829 175.0698 44 M 4.8992 8.6011 118.7471 54.3346 31.2907 175.7878 45 G 3.9731 8.2665 105.3295 46.6544 0.0000 173.5338 46 H 5.4885 9.3520 119.9693 53.8361 33.1706 172.2253 47 N 5.6129 8.8268 116.9596 51.1584 41.7752 172.5490 48 W 5.0917 9.2068 129.5111 55.6861 33.3150 174.3270 49 V 4.4903 7.8915 126.6867 60.6586 34.5772 173.6340 50 L 4.7539 7.9247 129.0739 53.2885 44.7158 175.2256 51 S 5.1286 8.6010 119.3210 57.6257 67.0950 173.8430 52 T 4.4898 8.5438 109.5239 61.0548 69.6771 175.2240 53 A 3.9205 8.9266 125.6313 55.6207 18.1066 180.1096 54 A 4.0070 7.9035 116.8198 54.2438 18.8119 178.3013 55 D 4.6193 8.0977 116.5919 55.2053 41.5908 177.7085 56 M 3.4711 7.3782 118.5613 58.9677 31.9880 177.5141 57 Q 3.8927 7.9768 118.5309 59.3862 29.0863 179.2542 58 G 3.5624 7.9222 105.8000 47.8000 0.0000 175.6135 59 V 3.6422 7.9618 121.1227 65.5736 31.5392 178.3416 60 V 3.5952 8.1267 118.2843 66.3055 31.3263 177.9583 61 T 3.8153 8.2082 115.7631 67.0437 68.1562 176.4266 62 D 4.4897 8.3309 119.6190 57.0267 41.0248 178.9348 63 G 3.9226 8.2494 107.9988 47.7364 0.0000 175.7320 64 M 4.1680 8.5834 122.0070 57.9405 31.7149 178.7335 65 A 4.1258 7.6820 119.9986 54.9467 18.8147 179.4708 66 S 4.2762 8.3010 114.2997 58.9888 62.9897 175.3971 67 G 4.2142 7.7567 106.8668 44.6506 0.0000 174.0000 68 L 2.7332 8.0327 120.9579 57.4742 42.1142 179.0993 69 D 4.3161 7.8897 116.5883 55.5329 39.5382 176.9221 70 K 4.3807 7.6356 118.0990 55.7833 32.4107 176.1422 71 D 4.1044 8.4800 115.7729 54.9518 39.0509 173.3469 72 Y 4.0024 7.7756 114.4147 59.1640 35.8371 170.0114 73 L 4.7632 7.9104 117.4999 52.4051 45.7307 176.8831 74 K 4.3188 8.5485 123.7694 55.0905 32.5316 174.2983 75 P 4.3044 0.0000 0.0000 64.4862 31.7068 175.7130 76 D 4.3602 8.7621 121.2239 55.1050 38.8212 173.6050 77 D 4.4614 7.8141 118.9057 53.9526 41.4712 176.9755 78 S 4.2358 8.7022 122.0595 61.2308 63.2245 175.7449 79 R 3.9636 8.2165 119.1216 57.8598 30.0056 176.6083 80 V 4.1037 7.4114 117.9139 61.7688 31.1726 175.5297 81 I 3.9543 8.5241 129.6572 64.2274 37.4097 176.5382 82 A 4.7572 7.4304 120.8124 51.5967 22.3346 174.6660 83 H 5.3488 8.5369 113.2318 55.3960 31.1941 173.1443 84 T 4.7199 8.6818 111.0938 60.1742 71.4166 173.5311 85 K 4.5131 9.1915 122.3023 55.7989 34.6969 175.7883 86 L 4.7562 8.8978 123.3062 54.5477 42.6213 175.9228 87 I 4.7509 9.3430 119.4897 59.1759 41.4006 174.6268 88 G 4.5825 8.7798 110.4934 43.9231 0.0000 172.7197 89 S 4.1493 7.6162 114.5105 60.3404 63.0862 176.0805 90 G 3.9439 8.7048 112.4091 45.4123 0.0000 173.1667 91 E 4.7737 8.0436 119.7546 55.2447 32.0951 174.8730 92 K 5.0165 8.2366 118.3534 56.4965 35.6085 174.6256 93 D 4.7234 9.1638 119.8712 53.4318 44.9693 174.1598 94 S 5.3524 8.6682 120.5898 56.7317 66.3019 173.7528 95 V 4.5722 8.3528 121.0874 60.4032 34.8212 174.2440 96 T 5.0679 8.6016 119.4497 61.7558 71.5660 173.1140 97 F 5.1369 8.2121 119.4203 55.0700 42.3594 173.5669 98 D 5.0189 8.8267 119.8101 53.8775 41.5547 178.1395 99 V 3.8864 8.5115 124.0749 65.4659 31.6947 177.8115 100 S 4.3692 8.0753 112.9471 60.3108 62.8366 174.9667 101 K 4.2427 8.0560 119.7433 57.2882 32.2383 176.4978 102 L 5.1048 8.1540 118.4619 51.9258 44.1047 175.8660 103 K 4.7023 8.4379 118.1277 55.1206 35.4501 175.6050 104 E 3.9313 8.7877 121.5768 58.3220 29.8405 177.6008 105 G 3.9134 8.9014 109.2858 45.6687 0.0000 172.7775 106 E 4.2838 7.4367 118.0990 54.2417 31.0950 175.7596 107 Q 4.0920 7.9186 121.6413 56.0808 29.5914 174.6436 108 Y 5.3669 8.4807 121.8253 56.3989 41.6445 174.8723 109 M 5.3396 9.3440 121.8892 53.5142 36.3171 174.4196 110 F 5.1158 8.5729 118.1608 55.3470 41.3157 174.1213 111 F 5.2794 7.7005 114.5509 56.8524 41.8599 171.7493 112 C 5.6517 8.7305 119.8280 57.0901 32.5309 174.5101 113 T 4.0139 9.0711 117.9451 64.2732 68.4340 173.9605 114 P 4.0588 0.0000 0.0000 64.4476 32.3782 175.8813 115 H 4.4874 7.5586 116.2704 52.8928 28.8367 172.3455 116 P 4.3304 0.0000 0.0000 65.0212 31.5193 178.1684 117 F 4.3558 7.2276 112.5340 58.4835 38.3404 175.7453 118 M 4.2369 7.7862 123.3816 54.0255 30.2923 174.7816 119 K 5.0502 7.8513 121.8397 55.6050 36.7641 174.7468 120 G 3.5201 7.5866 106.1703 45.9437 0.0000 172.5819 121 T 5.1564 8.0228 109.8956 60.1056 71.6534 173.5547 122 L 5.5028 8.6090 123.5270 54.0195 45.0955 175.5848 123 T 4.9180 9.0176 121.6075 61.6814 73.1652 174.0799 124 L 4.6736 8.4263 123.0334 54.5916 42.2041 176.2437 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 C 8.30 5.04 0.00 2.82 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 4 S 7.76 4.00 0.00 3.57 3.45 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 5 V 8.69 4.36 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 0.52 0.00 0.00 0.83 0.00 0.00 6 D 8.53 5.08 0.00 2.47 2.54 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 0.00 0.00 0.00 0.00 7 I 8.40 4.52 1.50 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.33 0.50 0.00 0.00 8 Q 8.58 5.19 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.51 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 9 G 9.01 4.37 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 10 N 8.42 6.26 0.00 2.95 3.05 0.00 0.00 6.86 8.04 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 11 D 8.83 4.61 0.00 2.82 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 12 Q 8.64 4.43 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 13 M 7.82 3.10 0.00 2.60 2.29 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 14 Q 7.36 4.55 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.72 6.92 0.00 0.00 0.00 0.00 0.00 2.56 2.41 0.00 15 F 8.77 6.01 0.00 3.25 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 16 N 8.78 4.95 0.00 2.89 2.98 0.00 0.00 5.82 7.71 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 17 T 7.63 4.62 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 18 N 8.63 5.43 0.00 2.85 3.07 0.00 0.00 5.91 8.03 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 19 A 8.10 5.09 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 20 I 9.50 4.65 2.06 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.72 0.96 0.00 0.00 21 T 8.56 4.94 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 1.21 0.00 0.00 22 V 8.80 3.68 1.93 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 0.65 0.00 0.00 0.06 0.00 0.00 23 D 8.66 4.45 0.00 2.74 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 K 8.77 4.05 0.00 1.91 1.95 0.00 1.63 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.45 7.81 25 S 8.53 4.39 0.00 3.98 4.04 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 0.00 0.00 0.00 26 C 8.46 4.62 0.00 3.05 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 27 K 8.51 4.22 0.00 1.70 1.84 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.45 7.81 28 Q 7.83 5.01 0.00 1.78 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 29 F 8.38 4.84 0.00 2.71 1.74 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 30 T 7.42 4.68 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 1.02 0.00 0.00 31 V 8.21 4.01 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 -0.27 0.00 0.00 -0.16 0.00 0.00 32 N 8.66 4.65 0.00 2.65 2.61 0.00 0.00 6.13 7.38 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 33 L 8.56 5.04 0.00 1.65 1.67 1.11 1.01 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 34 S 8.87 5.10 0.00 3.92 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 35 H 8.68 5.60 0.00 3.34 3.37 0.00 5.64 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.68 0.00 2.18 2.02 0.00 3.95 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 37 G 7.60 4.61 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 0.00 0.00 0.00 38 N 8.81 4.92 0.00 2.62 2.81 0.00 0.00 7.06 7.75 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 39 L 8.16 4.14 0.00 2.18 1.63 0.94 1.04 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 40 P 0.00 4.36 0.00 2.27 2.20 0.00 3.73 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 2.09 2.04 0.00 41 K 8.67 3.87 0.00 1.87 1.88 0.00 1.89 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.55 1.56 7.81 42 N 8.23 4.32 0.00 2.76 2.86 0.00 0.00 6.75 7.71 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 43 V 7.12 4.28 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 0.92 0.00 0.00 0.96 0.00 0.00 44 M 8.60 4.90 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.60 0.00 45 G 8.27 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 46 H 9.35 5.49 0.00 3.12 3.22 0.00 5.56 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.83 5.61 0.00 2.91 2.99 0.00 0.00 5.50 8.88 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 48 W 9.21 5.09 0.00 3.38 3.08 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 49 V 7.89 4.49 1.08 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 0.65 0.00 0.00 0.84 0.00 0.00 50 L 7.92 4.75 0.00 0.93 1.15 0.90 0.21 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 51 S 8.60 5.13 0.00 4.11 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 52 T 8.54 4.49 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 1.26 0.00 0.00 53 A 8.93 3.92 1.27 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 0.00 0.00 54 A 7.90 4.01 1.27 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 0.00 0.00 55 D 8.10 4.62 0.00 2.84 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 56 M 7.38 3.47 0.00 1.92 1.73 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.92 0.00 57 Q 7.98 3.89 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 58 G 7.92 3.56 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 0.00 0.00 0.00 59 V 7.96 3.64 2.38 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 1.28 0.00 0.00 1.06 0.00 0.00 60 V 8.13 3.60 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 0.94 0.00 0.00 0.70 0.00 0.00 61 T 8.21 3.82 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 1.20 0.00 0.00 62 D 8.33 4.49 0.00 2.72 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 63 G 8.25 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 64 M 8.58 4.17 0.00 1.92 2.10 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.73 0.00 65 A 7.68 4.13 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 66 S 8.30 4.28 0.00 4.10 3.93 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 67 G 7.76 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 0.00 0.00 0.00 0.00 68 L 8.03 2.73 0.00 1.32 1.46 0.82 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 69 D 7.89 4.32 0.00 2.75 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 70 K 7.64 4.38 0.00 1.87 1.92 0.00 1.89 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.38 7.81 71 D 8.48 4.10 0.00 2.82 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 72 Y 7.78 4.00 0.00 3.19 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 73 L 7.91 4.76 0.00 1.69 1.45 0.69 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.55 4.32 0.00 1.81 1.87 0.00 1.79 0.00 0.00 1.93 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.44 7.81 75 P 0.00 4.30 0.00 2.08 2.00 0.00 3.89 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 76 D 8.76 4.36 0.00 2.80 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 77 D 7.81 4.46 0.00 2.86 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 78 S 8.70 4.24 0.00 4.03 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 79 R 8.22 3.96 0.00 1.98 2.06 0.00 3.16 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.58 0.00 80 V 7.41 4.10 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 0.78 0.00 0.00 0.94 0.00 0.00 81 I 8.52 3.95 1.59 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.61 0.58 0.00 0.00 82 A 7.43 4.76 1.14 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 0.00 0.00 83 H 8.54 5.35 0.00 3.18 3.21 0.00 5.70 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.68 4.72 4.49 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 1.34 0.00 0.00 85 K 9.19 4.51 0.00 1.92 1.93 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.65 1.43 7.81 86 L 8.90 4.76 0.00 1.72 1.74 1.12 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 87 I 9.34 4.75 1.95 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.70 0.98 0.00 0.00 88 G 8.78 4.58 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 0.00 0.00 0.00 89 S 7.62 4.15 0.00 3.86 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 90 G 8.70 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 91 E 8.04 4.77 0.00 2.13 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 2.27 2.31 0.00 92 K 8.24 5.02 0.00 1.84 1.73 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.42 7.81 93 D 9.16 4.72 0.00 2.79 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 94 S 8.67 5.35 0.00 3.67 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 95 V 8.35 4.57 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 0.87 0.00 0.00 1.12 0.00 0.00 96 T 8.60 5.07 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 1.08 0.00 0.00 97 F 8.21 5.14 0.00 3.11 3.15 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 0.00 98 D 8.83 5.02 0.00 2.83 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 99 V 8.51 3.89 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 1.05 0.00 0.00 0.98 0.00 0.00 100 S 8.08 4.37 0.00 4.05 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 0.00 101 K 8.06 4.24 0.00 1.88 1.86 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.59 7.81 102 L 8.15 5.10 0.00 1.65 1.47 0.91 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 103 K 8.44 4.70 0.00 1.93 1.92 0.00 1.56 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.52 7.81 104 E 8.79 3.93 0.00 2.01 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 2.36 2.36 0.00 105 G 8.90 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 0.00 0.00 0.00 106 E 7.44 4.28 0.00 2.21 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 2.14 2.34 0.00 107 Q 7.92 4.09 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 108 Y 8.48 5.37 0.00 3.26 2.81 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 0.00 109 M 9.34 5.34 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.60 0.00 110 F 8.57 5.12 0.00 1.98 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 0.00 111 F 7.70 5.28 0.00 3.06 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 0.00 112 C 8.73 5.65 0.00 3.09 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 0.00 113 T 9.07 4.01 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 1.42 0.00 0.00 114 P 0.00 4.06 0.00 1.77 1.60 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.01 0.00 115 H 7.56 4.49 0.00 2.70 2.02 0.00 5.83 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 4.33 0.00 2.08 2.10 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.92 0.00 117 F 7.23 4.36 0.00 3.13 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 0.00 118 M 7.79 4.24 0.00 0.96 1.70 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.13 0.00 119 K 7.85 5.05 0.00 1.61 1.92 0.00 1.56 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.40 7.81 120 G 7.59 3.52 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 0.00 0.00 0.00 121 T 8.02 5.16 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 1.21 0.00 0.00 122 L 8.61 5.50 0.00 2.04 1.75 1.19 0.60 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 0.00 123 T 9.02 4.92 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 1.27 0.00 0.00 124 L 8.43 4.67 0.00 1.68 1.57 0.95 0.99 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