NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2884 8.3044 120.3091 55.2141 33.3867 174.0478 2 V 4.4313 8.1827 124.1648 60.0906 34.0189 172.9179 3 K 4.3632 9.6790 131.5432 55.7575 33.8955 174.9768 4 Q 4.6214 8.7305 127.1254 55.5815 29.5741 175.2832 5 I 4.3170 8.6413 126.5020 60.2533 37.6709 175.8823 6 E 4.3945 8.9007 126.4396 57.0995 30.6143 176.3888 7 S 4.6015 7.4657 112.3450 55.8650 66.6889 175.1803 8 K 3.9496 8.6023 123.4240 60.1458 31.8302 178.9147 9 T 3.8550 7.9685 115.1167 66.7715 68.4393 176.2824 10 A 4.2657 8.1747 123.9194 54.3438 18.3041 179.4215 11 F 4.1852 8.3376 119.3546 61.7359 39.4807 177.2341 12 Q 3.7154 8.4109 119.3150 59.0712 28.4605 178.0079 13 E 3.8963 8.4286 119.6636 59.2232 29.5810 179.1911 14 A 4.0154 8.1008 120.8985 55.0904 18.2200 179.6990 15 L 3.7592 7.4941 116.5516 57.8435 41.8085 179.2443 16 D 4.4126 8.2066 118.7734 57.3254 40.6064 178.6654 17 A 4.0739 8.0870 119.6781 54.4690 18.6726 179.1183 18 A 4.0519 8.0224 119.0252 52.1096 18.4961 178.9217 19 G 3.6865 8.0473 104.9550 47.3326 0.0000 175.9168 20 D 4.6161 8.8058 124.4171 54.4107 41.1674 176.6779 21 K 4.1412 7.7690 119.5037 55.7633 32.7467 176.5604 22 L 4.3012 8.4715 124.3552 55.5754 43.4725 175.5729 23 V 4.7495 8.9373 125.5597 61.0453 34.4089 174.0824 24 V 4.4103 8.6209 127.9946 60.9195 34.0613 174.1151 25 V 4.7314 8.7628 128.2105 61.1499 34.1309 173.6466 26 D 4.3983 8.7952 128.8264 52.7163 42.2908 175.3502 27 F 4.6901 8.7257 127.3577 56.7728 39.8965 175.1394 28 S 4.8254 8.9163 117.9439 56.2357 66.5074 172.2532 29 A 4.8193 7.7157 122.7457 50.0078 21.7360 177.5781 30 T 3.8065 8.5910 110.9859 63.7230 69.2009 175.4122 31 W 4.5002 7.5342 116.9750 56.8407 29.2577 175.7751 32 C 4.5638 7.2443 121.2129 57.6353 32.0557 173.3972 33 G 3.8634 8.8024 115.5344 47.9940 0.0000 173.0504 34 P 4.3423 0.0000 0.0000 65.0885 31.4061 178.5594 35 C 4.0868 7.8936 115.2470 62.7174 27.8538 176.0531 36 K 4.0041 7.6797 118.6678 59.7231 31.6834 179.0485 37 M 4.2349 7.9092 118.1121 58.2438 32.1475 178.1375 38 I 4.1697 7.8555 117.6897 62.4721 38.2684 177.3938 39 K 3.9687 7.9730 121.1621 59.4724 31.9111 176.7908 40 P 4.4109 0.0000 0.0000 65.6906 31.2035 178.1300 41 F 4.3255 8.3225 121.6615 60.4301 39.4144 176.5986 42 F 4.2246 8.8493 120.8303 61.7322 39.0358 176.6409 43 H 3.8919 8.4345 118.0169 59.0784 29.3875 177.3681 44 S 3.9993 8.2181 116.3080 61.4765 62.7248 176.4206 45 L 3.9057 7.6477 123.2355 57.3129 41.0379 179.6473 46 S 2.7900 6.5816 113.2593 60.7284 62.6512 176.1394 47 E 3.9533 7.1072 121.5118 58.7649 29.3211 178.6602 48 K 3.9390 7.6524 119.0601 57.9624 33.7894 176.8068 49 Y 4.6122 7.8034 118.2251 56.1730 37.0821 176.3255 50 S 4.3348 8.0227 115.4003 59.8685 63.8665 175.6218 51 N 4.7018 8.1494 117.2573 53.0300 37.8360 174.5791 52 V 4.5996 7.6961 119.2395 61.3603 34.2615 174.6276 53 I 4.4466 8.5659 128.0646 60.2029 39.0623 174.5106 54 F 5.1218 8.9608 125.5080 55.6848 41.3011 174.5527 55 L 5.4579 9.2888 123.5715 52.8342 45.7085 175.0200 56 E 4.9083 9.1953 122.6612 54.3115 32.8513 174.6508 57 V 4.4310 8.1967 126.6033 60.8419 34.3438 173.7887 58 D 4.8613 8.5183 128.6234 54.0486 41.6241 177.3174 59 V 3.7523 8.9646 120.5024 64.3075 32.1023 178.5549 60 D 4.5569 8.3771 120.0284 56.6817 40.9263 177.1170 61 D 4.6220 8.2146 117.2597 55.3918 42.2903 176.3504 62 C 4.9385 7.9191 115.9504 58.1314 28.3958 174.8643 63 Q 4.2085 8.1241 123.0043 58.1387 28.8056 178.3150 64 D 4.2993 7.9986 119.9175 56.5562 39.5261 178.6322 65 V 3.5170 7.7657 119.6437 65.3030 31.5679 177.5292 66 A 3.7250 8.1484 120.5599 55.0683 18.2062 179.4753 67 S 3.9587 8.1632 111.6196 61.7988 62.3268 176.4239 68 E 4.0883 8.1422 119.5557 58.8755 29.2281 178.4911 69 S 4.4580 7.8528 112.9934 57.3889 63.4618 173.6171 70 E 3.6668 7.8182 120.1432 57.2419 27.1645 175.0607 71 V 3.7096 7.4024 117.7466 62.4867 32.2718 175.5396 72 K 4.6014 8.2758 122.1133 56.2414 34.2902 175.4473 73 S 4.6625 7.5175 112.5829 57.6449 65.8612 172.8611 74 M 4.8855 7.9714 119.3825 52.8646 35.7527 173.4586 75 P 4.4228 0.0000 0.0000 62.9067 33.3508 174.9110 76 T 4.5200 8.1697 118.8802 61.7311 71.4127 173.0180 77 F 5.0793 8.6299 125.5587 55.8697 41.0912 174.7848 78 Q 5.2586 8.9382 122.6887 54.0532 32.3488 174.5462 79 F 5.3012 9.0186 121.1988 55.7625 42.0873 174.4993 80 F 5.3697 9.6335 121.4895 55.6505 43.4450 174.1120 81 K 4.7194 8.9381 120.6108 55.0397 35.7728 176.9163 82 K 3.9296 9.8518 125.1583 57.5914 29.5998 176.0824 83 G 3.9289 8.3716 104.0137 45.5793 0.0000 173.3293 84 Q 4.7667 7.9458 119.3343 53.4804 31.0264 174.9190 85 K 3.8872 8.6838 123.8950 56.4395 32.6411 176.5867 86 V 4.4227 8.4605 118.0408 60.9406 33.6927 175.2853 87 G 4.1193 7.2458 106.1870 45.5417 0.0000 171.8786 88 E 5.9800 8.8786 117.3446 56.2067 32.3708 174.8917 89 F 5.2241 8.2108 120.2833 56.0175 41.7755 172.5517 90 S 4.9809 8.9568 112.9642 57.3891 65.6863 173.6376 91 G 4.1843 8.8447 108.8203 44.7723 0.0000 174.6047 92 A 4.4803 8.3901 124.5041 50.9320 17.3194 178.2204 93 N 4.8382 7.9438 119.5179 50.7089 40.7348 173.9396 94 K 3.9634 8.3077 128.0264 59.5127 32.1783 178.9988 95 E 4.0052 8.0819 118.2662 59.2430 29.4801 179.1531 96 K 3.7164 8.6768 120.1801 58.9827 32.1310 178.5843 97 L 4.2548 8.0193 120.7153 58.3774 42.0639 178.6766 98 E 3.9158 8.4167 118.9797 59.2379 29.6053 178.5554 99 A 3.9527 8.3811 121.2587 55.3535 18.3426 179.8154 100 T 3.7464 7.9506 114.2759 66.6299 67.9383 176.7365 101 I 3.6177 7.5419 121.6623 64.6494 36.9344 178.0754 102 N 4.3055 7.8622 115.7775 56.3743 38.5027 177.1072 103 E 4.0811 8.1005 117.3550 58.5008 29.9035 178.0986 104 L 4.3451 7.4308 117.4722 54.9135 42.2207 176.8958 105 V 4.0035 7.2874 116.6762 61.3458 31.8392 175.4224 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 M 8.30 4.29 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 2 V 8.18 4.43 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 1.11 0.00 0.00 0.88 0.00 0.00 3 K 9.68 4.36 0.00 1.97 1.71 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.43 1.49 7.81 4 Q 8.73 4.62 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 5 I 8.64 4.32 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 1.42 0.88 0.96 0.00 0.00 6 E 8.90 4.39 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 2.25 2.22 0.00 7 S 7.47 4.60 0.00 4.01 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 8 K 8.60 3.95 0.00 1.87 1.89 0.00 1.76 0.00 0.00 1.87 0.00 0.00 3.14 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.58 1.65 7.81 9 T 7.97 3.85 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 1.22 0.00 0.00 10 A 8.17 4.27 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 11 F 8.34 4.19 0.00 3.05 3.24 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 12 Q 8.41 3.72 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 13 E 8.43 3.90 0.00 2.20 1.96 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 2.31 2.43 0.00 14 A 8.10 4.02 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 15 L 7.49 3.76 0.00 1.45 1.48 -0.02 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.21 4.41 0.00 2.78 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 17 A 8.09 4.07 1.28 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 0.00 0.00 18 A 8.02 4.05 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 19 G 8.05 3.69 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 0.00 0.00 0.00 20 D 8.81 4.62 0.00 2.68 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 21 K 7.77 4.14 0.00 1.88 1.76 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.62 1.39 7.81 22 L 8.47 4.30 0.00 1.80 1.54 1.12 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.94 4.75 2.18 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 0.86 0.00 0.00 0.96 0.00 0.00 24 V 8.62 4.41 1.48 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 0.66 0.00 0.00 0.57 0.00 0.00 25 V 8.76 4.73 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 0.11 0.00 0.00 1.15 0.00 0.00 26 D 8.80 4.40 0.00 1.58 1.85 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 27 F 8.73 4.69 0.00 2.84 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 28 S 8.92 4.83 0.00 3.76 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 29 A 7.72 4.82 0.18 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 0.00 0.00 30 T 8.59 3.81 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 1.26 0.00 0.00 31 W 7.53 4.50 0.00 3.48 3.20 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 0.00 0.00 0.00 0.00 32 C 7.24 4.56 0.00 1.59 2.40 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 33 G 8.80 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 34 P 0.00 4.34 0.00 2.14 2.14 0.00 3.57 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 35 C 7.89 4.09 0.00 3.05 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 36 K 7.68 4.00 0.00 1.92 1.89 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.62 7.81 37 M 7.91 4.23 0.00 2.04 2.29 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.87 0.00 38 I 7.86 4.17 2.05 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.90 1.16 0.00 0.00 39 K 7.97 3.97 0.00 2.11 1.87 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.54 7.81 40 P 0.00 4.41 0.00 2.40 2.35 0.00 3.98 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.09 0.00 41 F 8.32 4.33 0.00 3.22 3.42 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 42 F 8.85 4.22 0.00 3.26 3.32 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 0.00 43 H 8.43 3.89 0.00 3.30 3.43 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.22 4.00 0.00 4.00 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 45 L 7.65 3.91 0.00 1.49 1.79 0.83 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 46 S 6.58 2.79 0.00 3.28 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 47 E 7.11 3.95 0.00 1.91 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 2.18 2.20 0.00 48 K 7.65 3.94 0.00 1.54 1.71 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.39 1.11 7.81 49 Y 7.80 4.61 0.00 3.33 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 50 S 8.02 4.33 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 51 N 8.15 4.70 0.00 2.90 3.01 0.00 0.00 5.82 7.68 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 52 V 7.70 4.60 2.42 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 0.42 0.00 0.00 0.97 0.00 0.00 53 I 8.57 4.45 1.85 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.75 0.92 0.00 0.00 54 F 8.96 5.12 0.00 2.89 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 55 L 9.29 5.46 0.00 1.59 1.56 0.93 0.79 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 56 E 9.20 4.91 0.00 2.05 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 2.08 2.22 0.00 57 V 8.20 4.43 1.26 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 0.75 0.00 0.00 0.34 0.00 0.00 58 D 8.52 4.86 0.00 2.79 2.49 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 59 V 8.96 3.75 2.09 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 0.82 0.00 0.00 0.92 0.00 0.00 60 D 8.38 4.56 0.00 2.89 2.83 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 61 D 8.21 4.62 0.00 2.65 2.71 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 0.00 0.00 0.00 0.00 62 C 7.92 4.94 0.00 3.02 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 63 Q 8.12 4.21 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.91 0.00 0.00 0.00 0.00 0.00 2.64 2.42 0.00 64 D 8.00 4.30 0.00 3.03 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 65 V 7.77 3.52 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 0.71 0.00 0.00 0.87 0.00 0.00 66 A 8.15 3.73 1.32 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 0.00 0.00 0.00 67 S 8.16 3.96 0.00 3.98 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 68 E 8.14 4.09 0.00 2.05 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 0.00 2.36 2.43 0.00 69 S 7.85 4.46 0.00 3.34 3.79 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 70 E 7.82 3.67 0.00 2.07 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 0.00 2.21 2.19 0.00 71 V 7.40 3.71 1.88 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 0.62 0.00 0.00 -0.00 0.00 0.00 72 K 8.28 4.60 0.00 1.81 1.77 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.38 7.81 73 S 7.52 4.66 0.00 3.92 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 74 M 7.97 4.89 0.00 1.56 1.64 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 75 P 0.00 4.42 0.00 1.25 1.86 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 76 T 8.17 4.52 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 1.09 0.00 0.00 77 F 8.63 5.08 0.00 2.29 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 78 Q 8.94 5.26 0.00 2.42 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 79 F 9.02 5.30 0.00 3.10 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 80 F 9.63 5.37 0.00 2.91 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 81 K 8.94 4.72 0.00 1.68 1.69 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.43 7.81 82 K 9.85 3.93 0.00 1.87 1.85 0.00 1.93 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.43 7.81 83 G 8.37 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 0.00 0.00 0.00 84 Q 7.95 4.77 0.00 2.22 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.95 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 85 K 8.68 3.89 0.00 1.44 1.62 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.24 1.08 7.81 86 V 8.46 4.42 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 0.76 0.00 0.00 0.95 0.00 0.00 87 G 7.25 4.12 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 0.00 0.00 0.00 88 E 8.88 5.98 0.00 2.00 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 2.13 2.21 0.00 89 F 8.21 5.22 0.00 3.27 3.20 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 0.00 0.00 0.00 0.00 90 S 8.96 4.98 0.00 3.82 3.80 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 91 G 8.84 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 0.00 0.00 0.00 0.00 92 A 8.39 4.48 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 93 N 7.94 4.84 0.00 2.83 2.81 0.00 0.00 7.06 6.55 0.00 0.00 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 8.31 3.96 0.00 1.52 0.95 0.00 1.20 0.00 0.00 1.51 0.00 0.00 2.13 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.63 1.27 7.81 95 E 8.08 4.01 0.00 2.13 1.96 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 2.37 2.40 0.00 96 K 8.68 3.72 0.00 1.60 1.47 0.00 0.66 0.00 0.00 0.96 0.00 0.00 2.73 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.30 0.94 7.81 97 L 8.02 4.25 0.00 2.05 2.07 0.76 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.42 3.92 0.00 2.34 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 2.57 2.42 0.00 99 A 8.38 3.95 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 0.00 100 T 7.95 3.75 4.14 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 0.16 0.00 0.00 101 I 7.54 3.62 1.71 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.37 0.40 0.00 0.00 102 N 7.86 4.31 0.00 2.79 2.88 0.00 0.00 7.17 7.19 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 0.00 103 E 8.10 4.08 0.00 2.06 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 2.38 2.23 0.00 104 L 7.43 4.35 0.00 1.54 1.70 0.60 1.14 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 0.00 105 V 7.29 4.00 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 0.71 0.00 0.00 1.01 0.00 0.00