NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4258 8.3049 120.3218 54.8850 33.4087 175.0114 2 M 3.8622 8.1741 120.1782 53.9802 32.4935 174.3147 3 Q 4.6976 7.5809 117.2688 54.3170 32.6786 174.1513 4 I 4.1104 8.7712 120.4014 61.1461 38.7444 176.5084 5 S 4.5999 8.7178 121.8531 57.1921 65.7650 175.6856 6 S 4.0767 8.3876 117.6686 61.8844 62.4535 176.4822 7 N 4.3758 8.2263 119.2629 56.6251 38.6664 176.9400 8 G 3.5816 8.3576 107.5293 47.6703 0.0000 175.8040 9 I 3.6329 7.8572 122.1326 64.4848 37.1998 178.5792 10 T 3.8328 7.9785 116.5375 66.8232 68.2738 176.9514 11 R 3.9318 8.2847 120.2106 59.0475 30.0037 178.8863 12 L 3.9220 8.0442 120.2393 58.0245 42.0023 179.0538 13 K 3.8873 8.2294 118.6971 59.4982 31.7485 179.2168 14 R 3.8774 7.6979 117.7865 59.4857 30.0823 178.1886 15 E 4.1438 8.0014 117.3147 59.4636 29.5791 178.7487 16 E 4.2531 8.3664 117.6526 55.9846 30.1658 177.2495 17 G 4.0270 8.2066 107.3540 45.7855 0.0000 172.1015 18 E 4.7766 8.4976 122.9441 54.0928 31.9684 175.2116 19 R 4.5732 8.8073 124.3352 54.5002 32.8426 176.0418 20 L 4.2413 8.7812 124.3841 55.9664 42.9642 176.7022 21 K 5.0732 7.8965 118.3561 54.0364 33.9076 176.1873 22 A 4.5855 8.7461 127.3200 53.0298 19.1138 176.0834 23 Y 4.9319 8.7267 117.6421 55.8256 42.4143 173.8165 24 S 5.0240 8.6110 116.4199 57.0292 64.3539 174.6234 25 D 4.8817 8.6767 125.6639 52.5759 40.3004 177.0867 26 S 4.2340 8.6149 112.7755 60.7778 62.9637 175.1265 27 R 4.1856 8.1064 118.4093 56.3452 30.4805 177.0162 28 G 4.0120 8.3720 106.2800 44.8785 0.0000 172.9892 29 I 4.2549 8.2475 121.6998 58.9349 38.6627 173.6871 30 P 4.6017 0.0000 0.0000 63.4200 31.7811 175.9338 31 T 4.8260 8.6467 120.0632 62.1633 73.3558 172.6196 32 I 4.7985 8.7296 123.1592 59.8375 42.3078 176.2901 33 G 3.8810 9.3302 114.5121 47.2326 0.0000 176.5787 34 V 4.6791 8.3860 117.7346 61.3079 30.2604 174.8565 35 G 3.9934 8.5365 108.3733 45.8374 0.0000 170.3010 36 H 4.6061 8.3909 120.9376 55.6601 30.0572 175.6912 37 T 4.5001 8.2173 115.5191 61.2928 70.2345 174.4500 38 G 3.8414 7.2158 110.7051 44.4539 0.0000 173.2699 39 K 4.3122 8.3531 118.0583 56.3289 32.8037 176.8712 40 V 4.2812 8.5495 120.7251 62.2055 33.5957 175.5458 41 D 4.5506 9.9670 128.1641 55.4633 38.2749 174.8545 42 G 4.0146 8.6134 105.6876 45.3732 0.0000 173.4947 43 N 5.1212 7.8205 116.5701 50.8963 41.9507 174.2344 44 S 4.4876 8.4110 116.7437 58.1794 63.6029 174.7413 45 V 3.6452 8.1649 123.6192 63.2631 32.0555 174.9145 46 A 4.5752 8.1339 127.6116 50.6238 22.0072 175.4425 47 S 4.3842 8.4312 114.5611 60.1758 63.1482 174.9837 48 G 3.9976 8.9097 112.2549 45.3311 0.0000 173.3371 49 M 4.2145 7.9716 120.6708 56.0460 33.1476 175.0588 50 T 5.2837 8.5297 119.6983 60.2857 70.7122 172.3754 51 I 4.8898 8.5223 119.9762 59.1342 41.2066 174.9494 52 T 4.2982 8.3172 112.4294 60.5379 70.2520 175.5768 53 A 3.9696 8.4862 123.5412 55.4175 18.2430 179.8818 54 E 3.9367 8.0764 116.7342 59.3187 29.5708 179.1930 55 K 3.9422 8.1757 119.8104 59.4180 32.1438 178.7280 56 S 4.0824 8.3732 113.7608 61.5463 62.1858 176.4021 57 S 4.0665 8.2036 117.7940 61.4192 62.5607 176.1825 58 E 3.8928 8.2554 121.9715 59.4271 29.3173 178.9650 59 L 3.9525 8.1980 119.2764 57.5597 41.6319 179.2599 60 L 3.9485 8.2165 120.6270 58.1791 41.8210 179.2369 61 K 3.9458 8.0745 117.5442 59.1669 32.3139 178.6192 62 E 4.1117 8.1628 119.6931 59.5720 29.4423 178.6628 63 D 4.7303 8.3001 116.9293 56.4775 41.2243 177.7729 64 L 4.0473 7.9923 118.6168 55.5671 41.8006 178.5491 65 Q 4.0065 7.9870 119.1662 58.6396 28.6341 178.6884 66 W 4.2681 8.0896 117.3911 59.2735 28.2260 178.6460 67 V 2.9912 6.4594 118.6218 65.7178 31.0196 177.7142 68 E 3.9398 8.0511 118.3903 59.5099 29.1901 179.1067 69 D 4.4062 8.5497 119.1160 57.2568 40.8110 178.7225 70 A 4.0802 8.1023 121.2762 55.2237 18.3747 179.7456 71 I 3.6740 7.8229 118.3626 64.6294 36.9537 178.5918 72 S 4.1608 8.0555 112.7700 61.3756 62.2503 175.9520 73 S 4.2619 8.2842 115.1763 61.3073 62.3256 175.4858 74 L 4.3968 8.0952 119.7667 54.8043 42.1758 177.0919 75 V 4.4456 7.6200 118.7105 61.5800 32.4760 175.5087 76 R 4.6127 9.2081 124.9135 55.9127 30.8310 175.8201 77 V 4.6240 7.4166 110.4534 58.3146 34.9790 173.6026 78 P 4.4875 0.0000 0.0000 62.8817 31.7324 176.2067 79 L 4.9629 8.2240 121.0753 52.3844 45.0915 177.0432 80 N 4.6554 8.9427 121.7614 52.0042 39.8288 176.2202 81 Q 3.9457 8.3383 120.4564 59.2993 29.1027 177.6124 82 N 4.3329 8.0876 117.1153 56.2672 38.6199 177.1232 83 Q 3.5512 8.5652 119.8283 58.9815 28.6819 178.3149 84 Y 3.9900 8.1220 120.3484 60.9473 38.9685 177.9341 85 D 4.3643 8.7167 119.9706 57.2620 40.9060 178.6680 86 A 4.1254 8.2643 121.3125 55.5445 18.3559 179.6016 87 M 4.0348 8.4608 117.2707 58.6530 31.8860 178.6741 88 C 3.7319 8.0253 117.0887 62.7842 28.0543 176.2184 89 S 4.0281 7.8659 114.1065 61.1027 61.9108 175.8531 90 L 3.9201 7.9853 122.9842 58.3455 41.7469 179.1227 91 I 3.4776 7.6686 119.9491 64.2106 36.7442 178.0745 92 F 3.9881 8.0537 120.7616 61.3487 39.0809 176.5172 93 N 4.4571 7.8226 116.1826 56.4741 39.0602 176.6546 94 I 3.9297 7.8592 113.5884 60.9206 38.4951 176.9899 95 G 4.0953 7.9968 106.2912 45.3212 0.0000 174.4229 96 K 4.1410 8.6267 119.7434 59.6378 32.1215 179.2446 97 S 4.1143 8.0453 114.6462 61.5392 62.5957 176.3486 98 A 4.0493 7.8658 121.5852 55.1697 18.4655 178.9268 99 F 4.0425 8.1450 118.8670 61.4021 39.2294 177.0707 100 A 3.9647 8.3754 119.7557 54.6671 18.2044 178.8530 101 G 3.8903 7.5663 101.5492 44.0711 0.0000 174.1156 102 S 4.7743 7.2112 116.4162 57.6421 64.5108 175.6177 103 T 3.8983 8.4861 118.3160 66.4294 68.0469 176.9504 104 V 3.6135 8.0038 120.0629 66.1708 31.4306 177.7405 105 L 3.7564 7.5848 119.5890 57.9935 41.3553 178.7988 106 R 3.8271 7.7048 118.2935 59.6071 30.0481 178.5452 107 Q 3.9735 8.3363 118.1129 58.6514 28.6038 178.2759 108 L 3.7784 8.1158 121.6124 58.3701 41.9895 178.7027 109 N 4.4891 8.0663 113.6334 54.9112 38.5723 176.2328 110 L 4.3254 7.2102 118.4328 53.5779 42.1403 176.4236 111 K 3.2428 7.7470 117.6293 57.6851 30.3232 177.0611 112 N 4.7866 7.5704 117.6990 52.2934 36.1333 174.6295 113 Y 4.2756 7.9759 122.1224 60.8292 38.5185 177.3611 114 Q 4.0726 8.3410 120.0095 59.2110 29.3021 177.9761 115 A 4.0046 8.1016 121.1333 54.9835 18.2284 179.2178 116 A 3.9540 8.1614 118.5033 55.2431 18.7841 179.3739 117 A 3.4327 8.0103 119.1730 55.4013 18.4739 179.7228 118 D 4.3694 8.3614 117.1004 57.2440 40.9925 178.6440 119 A 4.2125 8.1638 120.8562 54.3076 18.3041 179.3216 120 F 4.2276 8.4135 117.0291 60.7797 38.7876 177.2321 121 L 4.3475 7.9754 116.5733 56.5822 41.5107 178.8312 122 L 4.0388 7.7600 118.3948 56.0519 42.8637 177.7517 123 W 4.5595 7.8316 121.4856 55.2123 27.6497 175.9132 124 K 4.5136 7.6706 117.8758 56.4480 34.6255 176.8404 125 K 4.7457 7.9003 119.9875 55.2167 33.5853 175.3985 126 A 4.6255 8.5419 127.0037 51.7397 23.1009 176.0521 127 G 3.7207 8.4853 111.6434 47.2696 0.0000 174.4477 128 K 4.2749 8.7536 124.6302 56.0918 32.3675 175.4519 129 D 4.8488 7.9801 120.8799 51.5896 41.9741 175.1963 130 P 4.4624 0.0000 0.0000 64.8712 31.7668 176.6400 131 D 4.9188 8.5280 117.3313 52.8285 40.3526 177.1783 132 I 3.6547 8.0080 121.7138 64.1841 38.1770 176.4623 133 L 4.4632 8.2556 118.7328 54.8639 42.1995 178.1903 134 L 3.9963 8.1861 122.1872 57.7343 41.9899 176.9075 135 P 4.2608 0.0000 0.0000 65.5871 31.2297 178.4607 136 R 3.9415 8.0054 116.8886 59.6117 30.0250 178.5414 137 R 4.1147 8.3156 117.9408 59.4616 29.9928 179.3093 138 R 3.9620 8.4591 118.1921 59.3316 30.0597 179.3408 139 R 3.9356 8.1602 117.8815 59.2653 29.9800 179.0227 140 E 4.0071 8.5243 118.6338 59.2760 29.5097 179.3029 141 R 3.2374 8.2632 118.9302 59.1666 29.9010 178.3705 142 A 3.9774 7.9136 119.5267 55.0265 18.6748 179.0547 143 L 4.0172 8.0506 118.8084 58.2945 41.9891 178.7411 144 F 4.1372 8.2092 119.7066 61.2350 39.3237 176.3000 145 L 4.4073 7.7675 115.3574 55.0468 41.8560 176.9436 146 S 4.3180 7.8190 119.3509 58.4080 63.2530 173.9477 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 4.43 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.65 0.00 2 M 8.17 3.86 0.00 1.21 1.49 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.45 0.00 3 Q 7.58 4.70 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.97 0.00 0.00 0.00 0.00 0.00 2.09 2.26 0.00 4 I 8.77 4.11 1.94 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.04 0.89 0.00 0.00 5 S 8.72 4.60 0.00 4.08 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 6 S 8.39 4.08 0.00 3.86 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 7 N 8.23 4.38 0.00 2.81 2.80 0.00 0.00 7.05 7.91 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 8 G 8.36 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 0.00 0.00 0.00 9 I 7.86 3.63 1.97 0.00 0.00 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 1.61 0.84 0.86 0.00 0.00 10 T 7.98 3.83 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 1.20 0.00 0.00 11 R 8.28 3.93 0.00 1.79 1.98 0.00 3.29 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 12 L 8.04 3.92 0.00 1.73 1.69 0.87 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.23 3.89 0.00 1.97 1.84 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.59 7.81 14 R 7.70 3.88 0.00 1.83 2.14 0.00 3.44 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 15 E 8.00 4.14 0.00 2.17 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 2.58 2.53 0.00 16 E 8.37 4.25 0.00 2.08 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 0.00 2.54 2.65 0.00 17 G 8.21 4.03 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 0.00 0.00 0.00 18 E 8.50 4.78 0.00 1.92 1.82 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 2.20 2.32 0.00 19 R 8.81 4.57 0.00 1.86 1.78 0.00 2.75 0.00 0.00 2.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.45 0.00 20 L 8.78 4.24 0.00 1.62 1.93 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.90 5.07 0.00 1.67 1.77 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.44 7.81 22 A 8.75 4.59 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 23 Y 8.73 4.93 0.00 3.10 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 24 S 8.61 5.02 0.00 3.81 3.84 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 0.00 0.00 0.00 25 D 8.68 4.88 0.00 3.00 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 26 S 8.61 4.23 0.00 4.03 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 27 R 8.11 4.19 0.00 1.93 2.00 0.00 3.15 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 28 G 8.37 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 0.00 0.00 0.00 29 I 8.25 4.25 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.59 0.84 0.00 0.00 30 P 0.00 4.60 0.00 1.87 1.94 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 31 T 8.65 4.83 3.01 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 1.17 0.00 0.00 32 I 8.73 4.80 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.37 0.97 0.00 0.00 33 G 9.33 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 0.00 0.00 0.00 34 V 8.39 4.68 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 0.92 0.00 0.00 0.95 0.00 0.00 35 G 8.54 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 0.00 0.00 0.00 36 H 8.39 4.61 0.00 3.34 3.41 0.00 5.73 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.22 4.50 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 1.14 0.00 0.00 38 G 7.22 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.35 4.31 0.00 1.79 1.86 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.43 7.81 40 V 8.55 4.28 2.10 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 1.00 0.00 0.00 0.98 0.00 0.00 41 D 9.97 4.55 0.00 2.83 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 42 G 8.61 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 0.00 0.00 0.00 43 N 7.82 5.12 0.00 2.92 2.68 0.00 0.00 6.92 7.07 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 44 S 8.41 4.49 0.00 3.85 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 45 V 8.16 3.65 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 0.76 0.00 0.00 0.98 0.00 0.00 46 A 8.13 4.58 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 47 S 8.43 4.38 0.00 4.00 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 48 G 8.91 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 0.00 0.00 0.00 49 M 7.97 4.21 0.00 2.21 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.52 0.00 50 T 8.53 5.28 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 51 I 8.52 4.89 1.88 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 1.45 0.87 0.93 0.00 0.00 52 T 8.32 4.30 4.36 0.00 0.00 0.00 0.00 0.00 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 53 A 8.49 3.97 1.34 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 0.00 0.00 0.00 0.00 0.00 54 E 8.08 3.94 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 2.39 2.41 0.00 55 K 8.18 3.94 0.00 1.88 1.95 0.00 1.51 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.48 7.81 56 S 8.37 4.08 0.00 3.93 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 57 S 8.20 4.07 0.00 4.05 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 58 E 8.26 3.89 0.00 2.03 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 0.00 2.30 2.35 0.00 59 L 8.20 3.95 0.00 1.81 1.51 0.84 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.22 3.95 0.00 1.80 1.77 0.52 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.07 3.95 0.00 1.87 1.84 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.57 7.81 62 E 8.16 4.11 0.00 2.08 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 0.00 2.39 2.41 0.00 63 D 8.30 4.73 0.00 3.07 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 64 L 7.99 4.05 0.00 1.72 1.50 0.69 0.34 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 65 Q 7.99 4.01 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.71 0.00 66 W 8.09 4.27 0.00 3.59 3.34 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 0.00 0.00 0.00 67 V 6.46 2.99 1.67 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 0.62 0.00 0.00 -0.64 0.00 0.00 68 E 8.05 3.94 0.00 2.05 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 0.00 2.38 2.43 0.00 69 D 8.55 4.41 0.00 2.94 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 70 A 8.10 4.08 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.82 3.67 1.93 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 1.04 0.38 0.96 0.00 0.00 72 S 8.06 4.16 0.00 3.94 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 73 S 8.28 4.26 0.00 4.01 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 74 L 8.10 4.40 0.00 1.96 1.79 1.17 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.62 4.45 2.37 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 0.95 0.00 0.00 1.17 0.00 0.00 76 R 9.21 4.61 0.00 1.83 1.93 0.00 3.17 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 77 V 7.42 4.62 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 0.82 0.00 0.00 1.06 0.00 0.00 78 P 0.00 4.49 0.00 2.10 2.02 0.00 3.79 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 2.11 2.17 0.00 79 L 8.22 4.96 0.00 1.71 1.65 1.18 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.94 4.66 0.00 2.88 2.83 0.00 0.00 6.32 8.24 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 81 Q 8.34 3.95 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.68 0.00 82 N 8.09 4.33 0.00 2.80 3.06 0.00 0.00 7.14 7.73 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 83 Q 8.57 3.55 0.00 2.02 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.95 0.00 84 Y 8.12 3.99 0.00 3.17 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 85 D 8.72 4.36 0.00 2.88 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 86 A 8.26 4.13 1.64 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 0.00 0.00 87 M 8.46 4.03 0.00 1.81 2.12 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 3.23 2.83 0.00 88 C 8.03 3.73 0.00 2.98 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 89 S 7.87 4.03 0.00 3.92 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 90 L 7.99 3.92 0.00 1.73 1.48 0.65 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 91 I 7.67 3.48 1.50 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 -0.05 0.74 0.00 0.00 92 F 8.05 3.99 0.00 2.85 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 93 N 7.82 4.46 0.00 2.82 3.04 0.00 0.00 7.24 7.76 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 94 I 7.86 3.93 1.33 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.37 0.70 0.00 0.00 95 G 8.00 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 0.00 0.00 0.00 0.00 96 K 8.63 4.14 0.00 2.14 1.84 0.00 1.89 0.00 0.00 1.88 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.61 1.72 7.81 97 S 8.05 4.11 0.00 3.88 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 98 A 7.87 4.05 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 0.00 0.00 0.00 0.00 0.00 99 F 8.14 4.04 0.00 2.94 3.17 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 0.00 100 A 8.38 3.96 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 0.00 101 G 7.57 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 0.00 0.00 0.00 0.00 102 S 7.21 4.77 0.00 4.34 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 0.00 103 T 8.49 3.90 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 1.21 0.00 0.00 104 V 8.00 3.61 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 1.21 0.00 0.00 0.95 0.00 0.00 105 L 7.58 3.76 0.00 0.64 1.35 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 106 R 7.70 3.83 0.00 1.90 1.87 0.00 3.12 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 107 Q 8.34 3.97 0.00 2.15 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.55 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 108 L 8.12 3.78 0.00 1.99 1.88 1.17 1.20 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 0.00 109 N 8.07 4.49 0.00 2.71 2.85 0.00 0.00 7.10 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.21 4.33 0.00 1.74 1.67 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 111 K 7.75 3.24 0.00 1.88 2.00 0.00 1.89 0.00 0.00 1.84 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.28 1.37 7.81 112 N 7.57 4.79 0.00 2.75 2.77 0.00 0.00 7.08 6.77 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 0.00 113 Y 7.98 4.28 0.00 3.11 3.25 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 0.00 114 Q 8.34 4.07 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 115 A 8.10 4.00 1.34 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 0.00 0.00 0.00 0.00 0.00 116 A 8.16 3.95 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 0.00 117 A 8.01 3.43 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 0.00 118 D 8.36 4.37 0.00 2.87 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 0.00 119 A 8.16 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.41 4.23 0.00 3.21 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 0.00 121 L 7.98 4.35 0.00 1.74 1.77 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 122 L 7.76 4.04 0.00 1.31 1.30 0.81 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 123 W 7.83 4.56 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 0.00 124 K 7.67 4.51 0.00 1.94 2.07 0.00 1.49 0.00 0.00 1.75 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.55 7.81 125 K 7.90 4.75 0.00 1.85 1.74 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.57 7.81 126 A 8.54 4.63 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 0.00 127 G 8.49 3.72 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 0.00 128 K 8.75 4.27 0.00 1.76 1.84 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.42 7.81 129 D 7.98 4.85 0.00 2.67 2.53 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 0.00 130 P 0.00 4.46 0.00 2.21 2.16 0.00 3.77 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 1.99 1.95 0.00 131 D 8.53 4.92 0.00 2.82 2.84 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 0.00 0.00 0.00 132 I 8.01 3.65 2.03 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 1.44 0.84 0.99 0.00 0.00 133 L 8.26 4.46 0.00 2.03 1.76 1.06 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.19 4.00 0.00 1.82 1.79 0.97 0.88 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 0.00 135 P 0.00 4.26 0.00 2.22 2.11 0.00 3.79 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 2.14 2.17 0.00 136 R 8.01 3.94 0.00 1.93 2.16 0.00 3.25 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.92 0.00 137 R 8.32 4.11 0.00 2.12 2.16 0.00 3.74 0.00 0.00 3.56 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 138 R 8.46 3.96 0.00 2.02 1.99 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.92 0.00 139 R 8.16 3.94 0.00 2.05 2.00 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 140 E 8.52 4.01 0.00 2.35 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 0.00 2.45 2.52 0.00 141 R 8.26 3.24 0.00 1.73 2.05 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 142 A 7.91 3.98 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 0.00 143 L 8.05 4.02 0.00 1.78 1.87 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 144 F 8.21 4.14 0.00 2.80 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 0.00 145 L 7.77 4.41 0.00 1.72 1.73 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 146 S 7.82 4.32 0.00 3.97 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