NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9749 8.2133 109.7411 45.7590 0.0000 176.2285 4 I 3.4845 7.7267 120.9267 63.6012 37.2188 176.5641 5 A 4.1658 8.8256 122.2948 55.3579 18.7356 179.1591 6 L 3.9889 7.9345 116.9237 57.9833 41.5986 179.5506 7 S 4.1065 8.0229 112.8316 61.4835 62.4603 176.2539 8 R 4.0548 8.1173 121.3813 59.2164 29.8044 178.3797 9 L 3.9799 8.5707 119.0748 57.2474 41.6736 179.1972 10 A 4.1083 8.1841 121.1785 55.2092 18.3153 179.7237 11 Q 4.0365 7.8747 115.2972 58.9281 28.6861 178.5698 12 E 4.0124 8.1647 119.5190 59.6129 29.5489 179.4803 13 R 4.3935 8.2830 118.6715 59.2200 29.9094 178.3562 14 K 3.9451 7.8829 118.2708 59.4709 32.5703 178.1891 15 A 4.1890 8.6472 121.1779 55.0116 18.3006 178.9631 16 W 4.3388 8.6284 127.1431 61.2434 30.5148 178.0997 17 R 3.9945 8.0898 116.3520 58.5107 29.5585 178.0769 18 K 4.7178 7.5252 115.1733 55.6158 33.5893 176.4605 19 D 4.3288 7.9181 118.4809 54.3534 42.4346 173.7446 20 H 4.3267 7.4638 118.5767 53.0546 30.9688 172.4781 21 P 4.4005 0.0000 0.0000 61.9107 31.9177 175.8514 22 F 4.0859 8.6688 123.4738 59.7663 39.8079 174.3964 23 G 4.0673 8.3642 115.4589 45.4383 0.0000 173.8902 24 F 4.6581 7.8024 117.2606 57.5587 39.9964 175.5679 25 V 4.7925 9.0364 120.6281 61.5944 35.0267 174.2840 26 A 4.9036 9.1650 129.1853 50.3349 20.3453 174.7758 27 V 3.9630 8.5350 120.0627 59.5167 34.7998 174.1425 28 P 4.1634 0.0000 0.0000 62.4507 32.4606 175.9172 29 T 4.2631 8.4707 112.6929 60.1736 71.1475 174.4592 30 K 4.8894 8.2597 127.1371 55.9621 30.8172 176.3170 *32 P 4.1659 0.0000 0.0000 63.5600 32.2900 175.2560 33 D 4.6551 8.1297 121.2077 53.9104 45.1679 176.1667 34 G 4.0789 8.7619 110.6280 46.4002 0.0000 174.4336 35 T 4.1332 7.8006 114.3377 61.4135 67.9811 173.9913 36 M 4.3198 8.4410 128.4352 55.2627 32.9374 176.3712 37 N 4.7139 8.7088 123.1063 51.7269 37.7238 175.2114 38 L 4.3494 8.1685 121.0831 56.2274 42.2308 177.7592 39 M 4.4439 8.1871 118.4403 55.5138 32.7695 174.8133 40 N 5.3855 8.5996 117.7379 51.7651 41.7635 172.3805 41 W 5.1029 9.5444 127.0999 54.9695 31.8833 175.1986 42 E 4.7378 9.0922 124.8420 55.5193 30.6433 175.2304 43 C 5.5148 9.1888 121.3939 58.1635 33.2361 172.8834 44 A 5.0820 9.0678 121.1088 50.7701 22.6486 175.2651 45 I 4.2561 8.8814 123.6384 58.6156 39.8939 173.7190 46 P 4.7402 0.0000 0.0000 62.0372 32.0626 176.8096 47 G 4.6506 8.8506 110.8625 45.4763 0.0000 173.6669 48 K 4.3412 8.7747 124.6115 55.7258 32.9971 176.8629 49 K 4.1288 8.5800 125.1090 57.7860 32.5225 176.8748 50 G 3.9124 9.4083 110.5133 46.7571 0.0000 173.1135 51 T 4.8714 7.6249 107.0962 58.8673 71.8732 172.6401 52 P 4.4207 0.0000 0.0000 64.2171 31.5886 178.0269 53 W 4.7976 8.2882 118.2159 57.0391 29.9531 176.3512 54 E 4.4860 7.9817 117.2068 57.9443 29.4386 177.2305 55 G 4.0215 9.3564 110.1197 44.8819 0.0000 172.9288 56 G 3.7650 7.8578 106.7799 44.7150 0.0000 172.8762 57 L 4.7806 8.5952 126.6675 53.0795 43.2398 175.2754 58 F 4.5167 8.8125 126.3194 56.1594 40.4137 175.1899 59 K 5.1048 8.5677 124.0842 55.0859 33.9755 175.8174 60 L 5.1823 8.6778 123.6470 54.0207 44.7884 174.8144 61 R 4.8745 9.1078 120.2700 54.7664 32.6574 174.2472 62 M 4.4999 9.3175 126.7272 53.9535 34.2323 174.5198 63 L 4.9498 8.3459 128.1721 53.1872 43.4528 175.9933 64 F 4.6480 8.6533 123.2991 56.1939 40.5385 176.1878 65 K 4.5256 8.3612 121.2413 54.6017 34.1846 176.9585 66 D 4.5439 8.4483 118.3205 55.5737 39.7705 177.2195 67 D 4.4176 8.1315 120.0175 56.9188 41.6089 175.4236 68 Y 4.4902 7.2683 118.6030 57.0580 38.8919 174.3527 69 P 3.8488 0.0000 0.0000 62.6593 32.0942 177.9827 70 S 4.3341 7.7770 115.9021 60.8964 62.7389 174.9014 71 S 4.6124 7.8091 113.4374 55.3706 65.0384 171.7975 72 P 2.9700 0.0000 0.0000 60.7875 31.8392 174.0497 73 P 4.1358 0.0000 0.0000 62.4236 32.4165 175.0996 74 K 4.3139 8.4995 122.5477 54.9841 34.1900 174.6029 75 C 5.0508 8.3952 124.4090 57.8180 31.0422 172.7994 76 K 4.9217 8.4473 122.9633 54.3652 35.0003 175.4800 77 F 4.6959 9.1978 124.3633 57.2806 40.2657 174.4096 78 E 4.8534 8.9998 123.2628 53.9185 31.7855 174.4368 79 P 4.5924 0.0000 0.0000 61.0025 32.3905 174.6432 80 P 4.7346 0.0000 0.0000 62.4201 31.7631 176.0182 81 L 4.9197 8.1029 119.5284 52.7188 44.0774 176.7869 82 F 4.5294 9.5648 124.2567 58.3366 38.7440 174.2373 83 H 4.4466 7.9323 124.2899 54.5684 32.6667 173.0887 84 P 4.2602 0.0000 0.0000 65.0109 31.4911 177.2073 85 N 4.9073 8.2298 114.8938 52.6510 39.0491 174.0157 86 V 4.7064 7.4010 117.6159 60.8964 33.8208 174.8699 87 Y 4.3365 8.2534 125.4092 57.7538 38.3390 176.2203 88 P 4.6621 0.0000 0.0000 65.3627 31.5415 177.8648 89 S 4.2875 8.0978 111.2303 59.0732 63.6865 174.9950 90 G 4.1581 8.8433 110.3656 45.2358 0.0000 173.6074 91 T 4.3519 7.6488 116.5579 64.1872 69.4747 173.4591 92 V 4.1552 9.1064 127.9361 62.5810 32.5010 175.3837 93 C 4.5464 8.9116 127.0080 58.2110 28.4784 172.7470 94 L 4.6911 8.0114 125.2060 52.6162 44.8326 177.0305 95 S 4.1677 8.9743 120.5263 61.5307 62.4434 175.9600 96 I 3.9506 7.8142 112.1516 62.6819 37.7257 176.6008 97 L 4.7265 8.1044 121.2076 54.3974 41.8073 175.6948 98 E 4.5672 7.9482 118.8776 54.4510 31.8150 175.8592 99 E 4.0771 8.8288 123.9464 60.3951 29.7361 179.5237 100 D 5.1183 7.8470 116.4957 54.3910 42.4865 176.5528 101 K 4.7007 8.1619 125.6242 57.0303 33.7658 176.7862 102 D 4.6933 7.2698 116.2943 53.8152 41.2677 176.3148 103 W 4.7943 7.7571 129.2320 56.9833 31.5029 175.3863 104 R 4.0838 6.7177 122.2180 53.2901 33.3646 174.2743 105 P 4.1856 0.0000 0.0000 64.7868 31.4853 177.7043 106 A 3.9276 7.5027 119.4741 54.5303 18.5414 177.8992 107 I 3.4677 6.8389 116.1568 62.7040 37.6503 176.6820 108 T 4.7260 8.2947 121.4306 62.6342 70.9103 175.9388 109 I 3.6843 8.6371 123.5393 64.2931 36.8873 178.5607 110 K 4.2105 8.3278 120.0644 60.1326 32.0230 178.4682 111 Q 4.0144 8.2130 117.4302 59.0216 28.5252 179.0994 112 I 3.7163 7.7385 120.6642 64.5799 37.1930 178.5787 113 L 4.0948 8.2594 119.9422 57.6425 41.3701 179.7180 114 L 4.2540 8.4193 119.5797 57.5492 41.6929 179.3406 115 G 3.7600 8.5431 106.1604 48.2012 0.0000 175.7630 116 I 3.7589 8.0684 122.4619 63.9700 35.7666 178.3629 117 Q 3.9532 8.0060 120.2518 59.1494 28.9807 178.1618 118 E 4.1339 8.4419 119.8583 59.1969 29.2716 178.9047 119 L 4.0538 7.5371 119.4528 57.8988 42.1000 178.0102 120 L 3.2366 7.1693 118.1296 57.3581 41.3567 177.8258 121 N 4.9954 7.0162 110.5425 53.9723 39.4783 175.0003 122 E 4.7037 7.5995 116.0003 54.0456 30.0766 173.3904 123 P 4.4346 0.0000 0.0000 62.4999 32.4687 176.6910 124 N 4.7040 9.7193 121.7816 51.4837 37.4788 175.1935 125 I 3.8976 8.1847 124.4122 64.0385 37.8442 177.2574 126 Q 4.1153 7.9879 120.8199 58.7060 28.7173 176.7617 127 D 4.6152 7.5024 118.4064 51.6917 41.6274 173.3711 128 P 4.4718 0.0000 0.0000 61.6319 32.4664 176.0971 129 A 4.1694 8.6589 123.3816 52.1871 20.5218 176.8228 130 Q 4.4854 7.5934 116.9517 54.4616 30.7818 175.9029 131 A 4.1063 8.7279 127.4772 55.5896 18.6459 178.7995 132 E 3.9594 8.3625 116.3826 59.6259 29.6106 179.0103 133 A 3.6044 7.9036 119.7215 55.4343 18.3783 178.7112 134 Y 4.0907 7.7321 117.6960 61.4946 38.7049 178.2154 135 T 3.7042 8.0262 116.3627 66.9983 68.6007 176.4603 136 I 3.7639 8.0887 121.3975 64.7513 36.9793 178.0208 137 Y 3.5159 7.8591 119.6666 60.6158 38.6601 177.3620 138 C 4.0432 7.6757 115.9551 61.1104 28.2809 173.9005 139 Q 4.3551 7.4813 116.8752 56.9646 30.8200 175.8370 140 N 4.9178 7.7248 116.3789 50.8504 38.8198 174.1366 141 R 3.8607 8.0172 122.6488 59.2000 30.5370 177.3257 142 V 3.5902 7.8068 117.3095 66.2572 31.2996 177.5171 143 E 3.9617 8.3039 117.0046 59.1106 29.8120 177.4803 144 Y 4.3816 8.3662 120.1405 61.1359 38.8636 178.3130 145 E 3.8703 8.9500 119.5911 59.0250 29.3731 179.2777 146 K 3.8275 7.9896 119.9647 59.3598 31.8007 178.7750 147 R 3.7932 7.7129 117.8483 58.0428 29.9029 178.9642 148 V 3.1382 7.0276 118.1014 65.5197 31.5448 178.0998 149 R 3.9726 8.1732 119.1182 58.6120 29.9907 178.7435 150 A 3.8980 7.5527 120.6559 55.2324 18.3984 179.5203 151 Q 3.7676 7.5850 117.3096 59.0874 28.9290 178.0262 152 A 4.2779 7.9127 121.2729 55.0733 18.6586 179.2487 153 K 3.9941 8.0630 118.2673 59.4094 32.0935 179.0067 154 K 3.7937 7.5063 118.4083 58.3006 32.0808 177.0846 155 F 4.9744 7.6874 116.7779 56.8828 39.5275 174.5235 156 A 4.6457 7.5343 123.6331 49.8927 19.0968 176.9508 157 P 4.2281 0.0000 0.0000 63.9078 32.1491 176.4188 158 S 4.2067 8.5749 113.2862 58.9008 63.0574 170.0076 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 G 8.21 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 4 I 7.73 3.48 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.70 0.90 0.00 0.00 5 A 8.83 4.17 1.52 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 6 L 7.93 3.99 0.00 1.73 1.76 0.94 0.83 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 7 S 8.02 4.11 0.00 4.10 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 8 R 8.12 4.05 0.00 1.94 2.15 0.00 3.19 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.83 0.00 9 L 8.57 3.98 0.00 1.86 1.67 0.70 -0.69 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 10 A 8.18 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 11 Q 7.87 4.04 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 12 E 8.16 4.01 0.00 2.15 1.87 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 2.56 2.42 0.00 13 R 8.28 4.39 0.00 2.29 2.10 0.00 3.01 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.64 0.00 14 K 7.88 3.95 0.00 1.97 2.03 0.00 1.91 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.51 7.81 15 A 8.65 4.19 1.40 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 0.00 0.00 16 W 8.63 4.34 0.00 3.61 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 17 R 8.09 3.99 0.00 2.20 2.07 0.00 3.43 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.86 0.00 18 K 7.53 4.72 0.00 1.90 1.88 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.69 1.41 7.81 19 D 7.92 4.33 0.00 2.54 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 20 H 7.46 4.33 0.00 1.40 1.35 0.00 5.58 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.40 0.00 1.99 1.93 0.00 3.17 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.75 0.00 22 F 8.67 4.09 0.00 3.05 3.02 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 23 G 8.36 4.07 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 0.00 0.00 0.00 24 F 7.80 4.66 0.00 3.26 3.54 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 25 V 9.04 4.79 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 1.10 0.00 0.00 1.01 0.00 0.00 26 A 9.16 4.90 0.13 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 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.53 3.96 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 0.80 0.00 0.00 0.75 0.00 0.00 28 P 0.00 4.16 0.00 1.54 1.50 0.00 3.11 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.44 0.00 29 T 8.47 4.26 4.20 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 1.28 0.00 0.00 30 K 8.26 4.89 0.00 1.71 1.50 0.00 1.61 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.47 7.81 *32 P 0.00 4.17 0.00 2.06 2.03 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 1.92 2.11 0.00 33 D 8.13 4.66 0.00 2.63 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 34 G 8.76 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 0.00 0.00 0.00 35 T 7.80 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 1.25 0.00 0.00 36 M 8.44 4.32 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.41 0.00 37 N 8.71 4.71 0.00 2.74 2.68 0.00 0.00 7.02 6.22 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 38 L 8.17 4.35 0.00 1.74 1.83 0.96 1.07 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 39 M 8.19 4.44 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.65 0.00 40 N 8.60 5.39 0.00 2.84 2.68 0.00 0.00 6.97 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 41 W 9.54 5.10 0.00 3.29 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 42 E 9.09 4.74 0.00 1.86 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 0.00 2.26 2.26 0.00 43 C 9.19 5.51 0.00 2.87 2.88 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 0.00 0.00 0.00 0.00 44 A 9.07 5.08 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 45 I 8.88 4.26 2.06 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 1.38 0.84 0.91 0.00 0.00 46 P 0.00 4.74 0.00 1.88 1.95 0.00 2.20 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.00 0.00 47 G 8.85 4.65 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 48 K 8.77 4.34 0.00 1.80 1.83 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.16 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.63 7.81 49 K 8.58 4.13 0.00 1.86 1.79 0.00 1.94 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.44 7.81 50 G 9.41 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 51 T 7.62 4.87 4.56 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 1.45 0.00 0.00 52 P 0.00 4.42 0.00 1.89 2.00 0.00 3.83 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 53 W 8.29 4.80 0.00 3.53 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 54 E 7.98 4.49 0.00 2.20 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 0.00 2.68 2.34 0.00 55 G 9.36 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 0.00 0.00 0.00 56 G 7.86 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 0.00 0.00 0.00 57 L 8.60 4.78 0.00 1.48 1.49 0.85 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 58 F 8.81 4.52 0.00 3.06 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 59 K 8.57 5.10 0.00 1.70 1.79 0.00 1.61 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.40 7.81 60 L 8.68 5.18 0.00 1.30 1.09 0.41 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 61 R 9.11 4.87 0.00 1.92 1.72 0.00 3.03 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.64 0.00 62 M 9.32 4.50 0.00 1.90 1.72 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.43 0.00 63 L 8.35 4.95 0.00 1.55 1.43 0.84 1.20 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 64 F 8.65 4.65 0.00 2.70 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 65 K 8.36 4.53 0.00 1.85 1.74 0.00 1.65 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.30 7.81 66 D 8.45 4.54 0.00 2.82 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 67 D 8.13 4.42 0.00 2.72 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 68 Y 7.27 4.49 0.00 2.97 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 69 P 0.00 3.85 0.00 2.00 1.34 0.00 3.55 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.62 0.00 70 S 7.78 4.33 0.00 4.20 4.01 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 0.00 0.00 0.00 71 S 7.81 4.61 0.00 3.81 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 72 P 0.00 2.97 0.00 1.55 0.65 0.00 3.29 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 73 P 0.00 4.14 0.00 1.15 0.49 0.00 3.18 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 74 K 8.50 4.31 0.00 1.62 1.51 0.00 1.47 0.00 0.00 1.54 0.00 0.00 2.73 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.23 1.27 7.81 75 C 8.40 5.05 0.00 2.65 2.47 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 0.00 0.00 0.00 0.00 76 K 8.45 4.92 0.00 1.59 1.63 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.29 7.81 77 F 9.20 4.70 0.00 2.96 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 78 E 9.00 4.85 0.00 1.81 1.87 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 2.25 2.24 0.00 79 P 0.00 4.59 0.00 2.24 2.13 0.00 3.45 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.24 0.00 80 P 0.00 4.73 0.00 2.15 2.18 0.00 3.78 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 81 L 8.10 4.92 0.00 1.30 1.48 -0.49 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 82 F 9.56 4.53 0.00 2.94 3.09 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 83 H 7.93 4.45 0.00 3.23 3.00 0.00 5.73 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.26 0.00 2.02 2.08 0.00 3.00 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.98 0.00 85 N 8.23 4.91 0.00 2.74 2.86 0.00 0.00 6.55 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 86 V 7.40 4.71 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 1.06 0.00 0.00 0.97 0.00 0.00 87 Y 8.25 4.34 0.00 3.10 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 88 P 0.00 4.66 0.00 2.12 2.21 0.00 3.92 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 89 S 8.10 4.29 0.00 3.97 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 90 G 8.84 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 T 7.65 4.35 4.53 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 0.00 0.00 0.00 1.30 0.00 0.00 92 V 9.11 4.16 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 0.70 0.00 0.00 0.73 0.00 0.00 93 C 8.91 4.55 0.00 2.89 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 94 L 8.01 4.69 0.00 1.63 1.44 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.97 4.17 0.00 3.90 3.88 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 0.00 0.00 0.00 0.00 96 I 7.81 3.95 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.69 0.94 0.00 0.00 97 L 8.10 4.73 0.00 1.74 1.63 0.97 0.60 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 98 E 7.95 4.57 0.00 2.12 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 2.27 2.49 0.00 99 E 8.83 4.08 0.00 2.02 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 2.41 2.26 0.00 100 D 7.85 5.12 0.00 2.69 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.70 0.00 1.69 0.97 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.42 7.81 102 D 7.27 4.69 0.00 2.87 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 0.00 103 W 7.76 4.79 0.00 3.49 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 0.00 104 R 6.72 4.08 0.00 1.38 1.35 0.00 3.18 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.39 0.00 105 P 0.00 4.19 0.00 1.86 2.02 0.00 3.44 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.04 0.00 106 A 7.50 3.93 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 0.00 107 I 6.84 3.47 1.48 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.23 1.01 0.00 0.00 108 T 8.29 4.73 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 1.36 0.00 0.00 109 I 8.64 3.68 1.69 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.72 0.39 0.00 0.00 110 K 8.33 4.21 0.00 2.11 1.94 0.00 1.89 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.65 7.81 111 Q 8.21 4.01 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 112 I 7.74 3.72 2.04 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 1.66 0.94 0.85 0.00 0.00 113 L 8.26 4.09 0.00 1.98 2.09 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.42 4.25 0.00 1.69 1.73 0.86 0.91 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 0.00 115 G 8.54 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 0.00 116 I 8.07 3.76 1.90 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.92 0.97 0.00 0.00 117 Q 8.01 3.95 0.00 2.52 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 118 E 8.44 4.13 0.00 2.17 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 2.55 2.48 0.00 119 L 7.54 4.05 0.00 1.70 1.81 1.02 0.98 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 0.00 120 L 7.17 3.24 0.00 1.01 0.13 0.42 0.13 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 0.00 121 N 7.02 5.00 0.00 2.66 2.85 0.00 0.00 7.09 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 0.00 122 E 7.60 4.70 0.00 2.12 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 2.29 2.30 0.00 123 P 0.00 4.43 0.00 1.43 1.57 0.00 3.59 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.79 0.00 124 N 9.72 4.70 0.00 2.60 2.67 0.00 0.00 7.38 7.28 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 0.00 125 I 8.18 3.90 1.99 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 1.58 0.88 1.09 0.00 0.00 126 Q 7.99 4.12 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.00 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 127 D 7.50 4.62 0.00 2.56 2.47 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 0.00 0.00 0.00 0.00 128 P 0.00 4.47 0.00 1.50 1.47 0.00 3.30 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.27 0.00 129 A 8.66 4.17 0.37 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 0.00 130 Q 7.59 4.49 0.00 2.27 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 131 A 8.73 4.11 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 0.00 132 E 8.36 3.96 0.00 2.14 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 2.51 2.47 0.00 133 A 7.90 3.60 0.77 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 0.00 0.00 134 Y 7.73 4.09 0.00 3.02 3.19 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 0.00 135 T 8.03 3.70 4.45 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 1.31 0.00 0.00 136 I 8.09 3.76 2.29 0.00 0.00 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 1.55 0.95 1.21 0.00 0.00 137 Y 7.86 3.52 0.00 2.45 2.88 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 0.00 0.00 0.00 0.00 138 C 7.68 4.04 0.00 2.80 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 0.00 139 Q 7.48 4.36 0.00 1.92 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.18 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 140 N 7.72 4.92 0.00 2.70 2.69 0.00 0.00 6.92 7.81 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 0.00 141 R 8.02 3.86 0.00 1.77 1.86 0.00 3.24 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 142 V 7.81 3.59 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 0.98 0.00 0.00 0.93 0.00 0.00 143 E 8.30 3.96 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 2.28 2.31 0.00 144 Y 8.37 4.38 0.00 3.42 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 0.00 145 E 8.95 3.87 0.00 2.06 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 2.60 2.79 0.00 146 K 7.99 3.83 0.00 1.89 1.96 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.42 7.81 147 R 7.71 3.79 0.00 1.59 1.13 0.00 3.06 0.00 0.00 2.77 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.82 0.00 148 V 7.03 3.14 1.71 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 -0.42 0.00 0.00 0.22 0.00 0.00 149 R 8.17 3.97 0.00 1.77 1.88 0.00 3.15 0.00 0.00 3.23 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.56 0.00 150 A 7.55 3.90 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 0.00 151 Q 7.59 3.77 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.81 2.53 0.00 152 A 7.91 4.28 1.54 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 0.00 0.00 153 K 8.06 3.99 0.00 1.80 1.87 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.39 7.81 154 K 7.51 3.79 0.00 1.48 1.36 0.00 0.66 0.00 0.00 1.26 0.00 0.00 2.73 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.71 1.14 7.81 155 F 7.69 4.97 0.00 2.96 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 0.00 156 A 7.53 4.65 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 0.00 157 P 0.00 4.23 0.00 2.05 2.02 0.00 3.75 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 2.03 2.07 0.00 158 S 8.57 4.21 0.00 4.01 3.88 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.