NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1133 8.0549 114.0561 60.8249 33.0856 174.4678 2 L 3.9447 8.0680 120.3756 52.8845 42.0034 176.5184 3 S 4.4769 8.9974 118.1299 57.8349 66.2139 174.8417 4 E 4.2354 8.8737 122.9259 59.5908 29.3966 179.2800 5 G 3.6604 8.0917 105.3530 47.7312 0.0000 175.4684 6 E 3.9605 8.0776 120.8341 58.9980 29.3992 179.3714 7 W 4.4255 8.3293 119.2449 59.8863 29.0845 178.3732 8 Q 4.0929 8.4201 119.6450 58.8682 28.3169 178.1910 9 L 4.0457 7.8811 119.8105 57.8004 41.7028 179.6194 10 V 3.7705 7.8222 117.9415 66.1743 31.5819 177.9482 11 L 4.3185 8.4635 118.2651 57.1796 41.2904 178.9697 12 H 4.2060 8.2393 118.1450 59.4413 30.2235 177.3739 13 V 3.7595 7.7864 114.4323 64.1102 31.3558 178.3688 14 W 3.9814 8.6222 128.0422 60.3217 30.2921 177.8032 15 A 4.0524 7.9942 119.6635 54.4194 18.1460 179.3154 16 K 3.9528 7.7921 117.5937 59.0950 32.1693 179.3460 17 V 2.8095 7.0912 118.0438 65.8635 30.9916 177.5723 18 E 3.8811 7.5886 115.7968 58.1767 29.3175 178.5698 19 A 4.1375 7.4060 120.1445 53.9874 19.9425 177.5562 20 D 4.6405 7.9474 116.6541 52.3124 42.5891 175.8589 21 V 3.4118 7.7705 123.8449 66.0589 32.1826 176.6959 22 A 4.0383 7.9740 120.0965 55.0990 18.2901 179.6661 23 G 3.4845 8.3458 104.2027 48.3119 0.0000 175.6006 24 H 4.1451 8.2725 118.9927 58.3874 28.6344 178.1796 25 G 3.5464 8.2533 107.6556 47.8276 0.0000 175.8701 26 Q 3.8700 8.0663 120.6289 58.7779 28.6865 178.5803 27 D 4.2804 7.9383 119.8810 57.2622 40.7704 179.0327 28 I 3.6283 7.7530 120.2691 64.4689 37.0944 178.5988 29 L 3.4449 7.7811 119.7246 57.3924 41.2607 179.7507 30 I 3.5837 7.6196 120.0086 64.0655 36.9559 178.2188 31 R 3.7735 7.9757 119.7749 59.2932 29.8723 178.1439 32 L 3.9339 7.7624 119.9153 58.4511 41.9625 179.0880 33 F 4.5601 8.0335 117.7712 60.5016 38.5298 177.8539 34 K 4.0512 8.0439 117.4732 59.3121 32.0344 179.2731 35 S 4.3670 8.1183 114.9008 60.1916 63.8542 174.2110 36 H 4.6708 8.0337 118.4888 52.2745 29.7332 171.9164 37 P 4.7266 0.0000 0.0000 64.4747 30.9364 177.6547 38 E 4.0763 8.2510 116.6552 59.6712 29.4348 179.2218 39 T 3.9866 8.3729 111.1357 64.4954 68.7270 176.2959 40 L 3.6493 7.8999 123.0019 57.7404 41.7969 178.3055 41 E 4.0694 7.7711 116.7750 58.2798 29.6621 178.3583 42 K 4.3671 8.0671 117.2242 57.5239 32.4778 176.5927 43 F 4.6453 8.0941 118.8852 55.5113 38.8773 176.0517 44 D 4.3910 8.6184 126.8909 57.2053 40.8143 178.4428 45 R 3.8951 7.7752 117.3943 57.8918 30.4263 176.3861 46 F 5.1032 7.9237 114.3182 57.0483 40.6390 176.3546 47 K 4.2422 8.1387 118.8719 58.0846 32.4860 177.3624 48 H 4.4675 8.0459 114.9936 57.2687 29.1772 175.4141 49 L 4.2740 7.5348 121.2046 54.1721 42.1891 176.4866 50 K 4.4067 9.4695 122.6038 56.8238 34.5579 177.1786 51 T 4.6285 7.6029 107.9101 59.5670 72.3716 174.8045 52 E 3.8686 8.6181 122.0923 59.5049 29.6495 178.9681 53 A 3.9709 7.9401 120.1821 55.2429 18.2882 179.2355 54 E 3.9153 7.9974 115.8897 59.8146 29.6912 179.1452 55 M 4.1700 8.2003 118.7059 58.4986 31.8319 179.0297 56 K 3.9342 8.2035 117.4154 59.1806 32.2660 178.7286 57 A 4.2812 7.7910 119.4388 52.5503 18.9283 177.3033 58 S 4.3121 7.4410 114.0468 57.5564 63.1619 174.4885 59 E 3.9766 8.9446 128.7737 59.3172 29.5414 177.9948 60 D 4.4424 8.1876 117.7202 57.3116 41.2730 177.8162 61 L 3.4218 7.9761 120.6302 57.9792 42.1488 178.8793 62 K 3.8445 7.8927 119.0434 59.3381 32.1456 178.6642 63 K 4.0087 8.2234 120.1012 59.6449 32.0536 178.1983 64 H 4.5841 8.4334 118.5672 58.6909 29.8186 177.4474 65 G 3.5102 8.3581 108.1818 47.4928 0.0000 175.8565 66 V 3.5938 7.7352 120.2836 66.0839 31.6855 177.9794 67 T 3.8865 7.7706 115.2759 66.8023 68.3868 176.4521 68 V 3.6062 7.8420 119.7207 66.2399 31.5380 178.0887 69 L 4.2377 8.1149 118.6378 58.1398 41.4313 179.7020 70 T 3.9605 8.3255 115.7719 66.5134 68.4818 176.6316 71 A 3.9699 7.9813 122.3273 55.0777 18.4513 179.3127 72 L 3.7387 8.0590 119.0510 58.1650 42.0728 179.5267 73 G 3.2069 8.5043 105.6701 47.6172 0.0000 175.3363 74 A 3.9935 7.6882 122.2957 54.9994 18.5989 179.6438 75 I 3.7840 7.5469 117.7147 64.5777 37.2463 178.4669 76 L 3.9424 7.6569 119.7903 57.6615 41.2047 178.9636 77 K 4.1421 7.4737 114.8926 56.7703 32.5326 178.2886 78 K 4.0130 7.9261 119.4878 55.6954 32.4788 176.6266 79 K 2.0000 8.0477 117.7897 56.4994 29.6026 176.3961 80 G 3.9512 8.0500 107.3471 45.7860 0.0000 174.2134 81 H 5.3716 7.6029 118.4601 54.9043 27.6761 174.9468 82 H 5.7796 7.2031 109.6701 54.4392 29.7721 176.7243 83 E 3.9995 8.5475 121.8604 60.5788 29.0196 178.7030 84 A 4.0298 7.8822 118.9962 55.2365 18.1946 179.1006 85 E 4.0782 8.1245 116.7187 59.3302 29.5880 179.0426 86 L 4.1782 8.1133 120.3580 57.5171 42.2024 178.7832 87 K 3.9054 7.8635 118.3465 59.2689 32.0445 177.4701 88 P 4.2850 0.0000 0.0000 65.1798 31.3105 178.4819 89 L 3.9993 7.4417 115.7657 58.3491 42.0912 179.0513 90 A 4.1997 8.4756 121.0437 54.9281 18.2560 179.5777 91 Q 3.8618 8.0733 117.1126 59.3139 28.8661 179.3452 92 S 4.0484 8.2333 115.1583 61.7023 63.1052 176.1782 93 H 4.2897 8.5559 119.6311 58.2182 28.1626 177.7230 94 A 2.9202 7.8985 122.6560 54.7925 18.2826 179.1206 95 T 3.6473 7.1046 106.1194 62.9941 69.5720 175.9586 96 K 4.0531 7.3356 120.9786 58.6222 32.7838 177.1156 97 H 4.3483 8.2764 114.1331 55.8928 29.5786 175.5097 98 K 3.6744 7.6153 117.3066 57.1835 28.7792 175.0744 99 I 4.2306 8.1407 118.5777 58.8140 38.7133 175.1084 100 P 4.8199 0.0000 0.0000 61.6596 31.9623 177.6454 101 I 3.5233 8.3080 121.8370 64.3887 36.8917 178.5628 102 K 3.6878 7.9165 120.0337 59.7429 31.9449 178.2676 103 Y 3.9533 7.9503 116.9095 60.7946 37.7352 178.1840 104 L 4.2081 7.8594 119.5580 57.3717 41.7210 179.0033 105 E 3.9336 7.7751 119.4822 59.2603 29.6006 178.7700 106 F 4.4788 7.8376 117.8374 60.8207 38.8894 177.5748 107 I 3.8273 8.1010 118.1684 63.9550 37.7091 178.0742 108 S 4.1780 8.2369 116.2859 61.6928 62.6569 176.3959 109 E 4.0306 8.4202 120.8890 59.5723 29.2731 179.4226 110 A 4.0194 8.1492 120.7008 55.0268 18.3395 179.7513 111 I 3.6882 8.1589 118.7223 64.6068 37.2223 178.7044 112 I 3.7993 7.8151 120.5512 64.6150 37.0144 177.6700 113 H 4.0274 8.4500 119.2505 59.5806 29.5578 177.3472 114 V 3.5935 7.9138 119.6351 66.0255 31.4133 177.9274 115 L 3.7795 7.9816 118.8187 57.9139 41.0208 179.0329 116 H 4.4803 7.8317 117.5477 59.0426 29.8833 177.2309 117 S 4.1807 7.7894 116.2605 61.7327 62.8216 176.5038 118 R 4.1110 7.8606 118.8217 57.7425 30.4680 176.4978 119 H 5.0130 8.0475 116.5455 54.3288 30.4352 173.8358 120 P 4.2341 0.0000 0.0000 66.1534 30.9559 178.3254 121 G 3.7253 8.1240 105.7847 47.1795 0.0000 173.5680 122 D 4.9878 8.1340 117.8946 53.9922 42.0253 176.1857 123 F 5.0068 8.1076 119.7032 56.6049 39.3841 174.3061 124 G 3.8960 7.5658 109.3311 44.0115 0.0000 171.9774 125 A 3.9197 8.4241 120.8516 55.0400 18.2087 179.6311 126 D 4.1703 7.8932 116.9695 56.6690 39.6247 178.5887 127 A 3.9462 7.7459 122.0618 54.6157 18.4291 179.4160 128 Q 3.3565 7.8672 117.1405 58.7290 28.7257 179.3011 129 G 3.4951 8.2796 106.8785 47.5974 0.0000 175.4617 130 A 3.8585 7.8189 123.4897 55.1417 18.3443 179.4359 131 M 4.0041 8.1816 116.6748 58.8593 32.2833 177.9566 132 N 4.3414 8.3459 117.2068 56.4154 39.0217 177.1063 133 K 3.8760 8.1177 119.8983 59.3622 32.1435 179.1783 134 A 3.8696 7.9920 121.0890 55.0672 18.2582 179.7404 135 L 4.0569 8.2223 117.7325 57.8742 41.6043 179.5296 136 E 3.9940 8.4837 118.8450 59.2658 29.3666 179.0167 137 L 3.9569 8.1160 120.4446 58.1258 42.1595 178.6172 138 F 4.0719 8.3186 120.5013 61.5138 39.2374 177.3447 139 R 3.5491 8.0784 117.3940 58.9973 29.7375 179.0022 140 K 3.8624 8.2533 119.7021 59.6963 31.7243 178.6615 141 D 4.3516 8.2413 119.2396 57.2163 40.6783 178.8678 142 I 3.5422 7.5428 120.2862 64.1292 36.9245 178.1447 143 A 3.6939 8.1347 121.8219 55.1176 18.0657 179.5921 144 A 3.9458 7.7440 119.3396 55.0960 18.4297 180.0807 145 K 4.0062 7.7105 116.4503 59.6317 32.1953 179.0301 146 Y 4.1397 8.3443 117.1874 61.0394 37.8008 178.6428 147 K 3.9194 8.4328 120.5950 59.5728 32.0642 178.0818 148 E 3.9195 7.9021 117.9776 59.5887 29.6724 178.6849 149 L 4.2873 7.8174 116.5485 55.6936 41.7769 177.6357 150 G 3.7739 8.1626 106.7738 46.5734 0.0000 173.5739 151 Y 4.3273 7.3326 114.6671 58.1376 39.1761 177.4268 152 Q 3.5419 7.5130 120.9049 56.5165 26.9269 176.8130 153 G 4.3106 8.9831 112.4092 45.7557 0.0000 171.4367 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 V 8.05 4.11 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 0.93 0.00 0.00 0.97 0.00 0.00 2 L 8.07 3.94 0.00 0.73 0.61 0.48 -0.86 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 3 S 9.00 4.48 0.00 4.05 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 4 E 8.87 4.24 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 5 G 8.09 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.08 3.96 0.00 1.94 1.73 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 2.21 2.26 0.00 7 W 8.33 4.43 0.00 3.54 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 8 Q 8.42 4.09 0.00 2.36 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 9 L 7.88 4.05 0.00 1.97 1.74 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.82 3.77 2.48 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 1.23 0.00 0.00 0.91 0.00 0.00 11 L 8.46 4.32 0.00 1.86 1.81 0.93 1.04 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 12 H 8.24 4.21 0.00 3.33 3.58 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.79 3.76 2.14 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 1.22 0.00 0.00 1.18 0.00 0.00 14 W 8.62 3.98 0.00 3.56 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 15 A 7.99 4.05 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.79 3.95 0.00 1.50 1.62 0.00 1.64 0.00 0.00 1.47 0.00 0.00 2.73 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.49 1.43 7.81 17 V 7.09 2.81 0.75 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 -0.05 0.00 0.00 0.24 0.00 0.00 18 E 7.59 3.88 0.00 2.01 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 2.19 2.09 0.00 19 A 7.41 4.14 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 20 D 7.95 4.64 0.00 2.65 2.51 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 21 V 7.77 3.41 2.04 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 1.03 0.00 0.00 0.89 0.00 0.00 22 A 7.97 4.04 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 G 8.35 3.48 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 0.00 24 H 8.27 4.15 0.00 3.23 3.24 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.25 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.07 3.87 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 27 D 7.94 4.28 0.00 2.76 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 28 I 7.75 3.63 1.80 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.69 0.87 0.00 0.00 29 L 7.78 3.44 0.00 1.31 0.86 0.74 0.47 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 30 I 7.62 3.58 1.81 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 1.35 0.72 0.87 0.00 0.00 31 R 7.98 3.77 0.00 1.89 2.08 0.00 3.00 0.00 0.00 2.84 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 32 L 7.76 3.93 0.00 1.77 1.47 1.06 1.01 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 33 F 8.03 4.56 0.00 2.94 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 34 K 8.04 4.05 0.00 1.77 1.83 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.59 7.81 35 S 8.12 4.37 0.00 3.70 3.48 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 36 H 8.03 4.67 0.00 3.04 2.89 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.73 0.00 2.15 2.09 0.00 3.82 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 38 E 8.25 4.08 0.00 2.28 2.29 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 2.20 2.50 0.00 39 T 8.37 3.99 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 0.93 0.00 0.00 40 L 7.90 3.65 0.00 1.32 1.76 0.10 1.15 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 41 E 7.77 4.07 0.00 2.07 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 0.00 2.36 2.43 0.00 42 K 8.07 4.37 0.00 1.89 1.63 0.00 1.89 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.72 1.88 7.81 43 F 8.09 4.65 0.00 3.21 2.96 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 44 D 8.62 4.39 0.00 2.63 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 45 R 7.78 3.90 0.00 1.50 1.60 0.00 2.96 0.00 0.00 2.93 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.06 0.00 46 F 7.92 5.10 0.00 2.91 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 47 K 8.14 4.24 0.00 1.87 2.17 0.00 1.59 0.00 0.00 1.89 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.68 1.45 7.81 48 H 8.05 4.47 0.00 3.31 3.47 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.53 4.27 0.00 1.65 1.58 0.90 0.60 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 50 K 9.47 4.41 0.00 1.65 1.80 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.44 7.81 51 T 7.60 4.63 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 1.21 0.00 0.00 52 E 8.62 3.87 0.00 2.04 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 2.35 2.36 0.00 53 A 7.94 3.97 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 54 E 8.00 3.92 0.00 2.11 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 2.36 0.00 55 M 8.20 4.17 0.00 2.04 2.30 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.60 0.00 56 K 8.20 3.93 0.00 1.83 1.85 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.68 7.81 57 A 7.79 4.28 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 58 S 7.44 4.31 0.00 3.86 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 59 E 8.94 3.98 0.00 2.14 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 2.40 2.45 0.00 60 D 8.19 4.44 0.00 2.91 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 61 L 7.98 3.42 0.00 1.50 1.64 -0.20 0.57 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 62 K 7.89 3.84 0.00 1.85 1.98 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.41 7.81 63 K 8.22 4.01 0.00 2.07 2.14 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.50 7.81 64 H 8.43 4.58 0.00 3.71 3.58 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.36 3.51 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 0.00 66 V 7.74 3.59 2.26 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 1.12 0.00 0.00 1.00 0.00 0.00 67 T 7.77 3.89 4.46 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 0.00 0.00 0.00 1.30 0.00 0.00 68 V 7.84 3.61 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.93 0.00 0.00 69 L 8.11 4.24 0.00 1.79 1.89 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.33 3.96 4.48 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 1.26 0.00 0.00 71 A 7.98 3.97 1.42 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 0.00 0.00 72 L 8.06 3.74 0.00 1.61 1.75 0.25 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.50 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 0.00 0.00 0.00 74 A 7.69 3.99 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 75 I 7.55 3.78 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.88 0.93 0.00 0.00 76 L 7.66 3.94 0.00 1.20 1.57 -0.05 0.60 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 77 K 7.47 4.14 0.00 1.67 1.77 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.52 7.81 78 K 7.93 4.01 0.00 1.82 1.82 0.00 1.80 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.59 7.81 79 K 8.05 2.00 0.00 1.34 0.74 0.00 1.49 0.00 0.00 1.44 0.00 0.00 2.68 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.44 0.78 7.81 80 G 8.05 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.60 5.37 0.00 3.17 3.23 0.00 5.76 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.20 5.78 0.00 3.28 3.44 0.00 5.65 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.55 4.00 0.00 2.09 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 2.42 2.47 0.00 84 A 7.88 4.03 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 85 E 8.12 4.08 0.00 2.10 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 2.40 2.43 0.00 86 L 8.11 4.18 0.00 1.95 1.66 0.73 0.36 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 K 7.86 3.91 0.00 1.98 1.87 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.51 7.81 88 P 0.00 4.29 0.00 2.19 2.12 0.00 3.72 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 2.13 2.15 0.00 89 L 7.44 4.00 0.00 1.81 1.87 1.12 0.85 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 90 A 8.48 4.20 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 91 Q 8.07 3.86 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 92 S 8.23 4.05 0.00 3.91 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 93 H 8.56 4.29 0.00 3.50 3.58 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.90 2.92 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.10 3.65 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 0.93 0.00 0.00 96 K 7.34 4.05 0.00 1.55 1.67 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.20 1.34 7.81 97 H 8.28 4.35 0.00 2.96 3.15 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.62 3.67 0.00 1.83 1.79 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.29 1.37 7.81 99 I 8.14 4.23 2.05 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 1.32 0.94 1.11 0.00 0.00 100 P 0.00 4.82 0.00 1.83 1.79 0.00 2.86 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.65 0.00 101 I 8.31 3.52 1.76 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.45 0.74 0.00 0.00 102 K 7.92 3.69 0.00 1.75 1.69 0.00 1.58 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 0.73 7.81 103 Y 7.95 3.95 0.00 3.14 3.03 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 0.00 104 L 7.86 4.21 0.00 1.78 1.83 0.67 1.02 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 0.00 105 E 7.78 3.93 0.00 1.92 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 0.00 2.37 2.37 0.00 106 F 7.84 4.48 0.00 3.19 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 0.00 107 I 8.10 3.83 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 1.07 0.00 0.00 108 S 8.24 4.18 0.00 4.22 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 0.00 109 E 8.42 4.03 0.00 2.31 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 0.00 2.66 2.62 0.00 110 A 8.15 4.02 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 0.00 111 I 8.16 3.69 2.09 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 1.58 0.81 1.04 0.00 0.00 112 I 7.82 3.80 2.12 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.81 1.16 0.00 0.00 113 H 8.45 4.03 0.00 3.39 3.52 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.91 3.59 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 0.98 0.00 0.00 0.94 0.00 0.00 115 L 7.98 3.78 0.00 1.21 0.39 0.76 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.83 4.48 0.00 3.49 3.54 0.00 5.96 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.79 4.18 0.00 3.99 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 0.00 118 R 7.86 4.11 0.00 1.58 1.62 0.00 3.09 0.00 0.00 2.86 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 119 H 8.05 5.01 0.00 3.14 3.24 0.00 5.66 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.23 0.00 2.19 2.26 0.00 3.72 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 121 G 8.12 3.73 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 0.00 0.00 0.00 122 D 8.13 4.99 0.00 2.77 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 0.00 123 F 8.11 5.01 0.00 2.98 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 0.00 124 G 7.57 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 0.00 0.00 0.00 125 A 8.42 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.89 4.17 0.00 2.86 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 0.00 127 A 7.75 3.95 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.87 3.36 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.94 1.48 0.00 129 G 8.28 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.82 3.86 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 0.00 131 M 8.18 4.00 0.00 2.50 2.43 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.86 0.00 132 N 8.35 4.34 0.00 2.90 2.90 0.00 0.00 7.24 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 0.00 133 K 8.12 3.88 0.00 1.84 1.67 0.00 1.55 0.00 0.00 1.51 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.47 7.81 134 A 7.99 3.87 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.22 4.06 0.00 1.75 1.80 0.98 0.74 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 0.00 136 E 8.48 3.99 0.00 2.13 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 2.34 2.49 0.00 137 L 8.12 3.96 0.00 1.86 1.96 0.98 0.97 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 0.00 138 F 8.32 4.07 0.00 3.03 3.16 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 0.00 139 R 8.08 3.55 0.00 2.04 1.86 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.91 0.00 140 K 8.25 3.86 0.00 1.77 2.00 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.45 7.81 141 D 8.24 4.35 0.00 2.77 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 0.00 142 I 7.54 3.54 1.26 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 -0.13 0.33 0.00 0.00 143 A 8.13 3.69 1.24 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 0.00 0.00 144 A 7.74 3.95 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 0.00 145 K 7.71 4.01 0.00 2.14 1.96 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.55 7.81 146 Y 8.34 4.14 0.00 3.09 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 0.00 147 K 8.43 3.92 0.00 1.85 1.98 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 148 E 7.90 3.92 0.00 2.05 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 2.35 2.38 0.00 149 L 7.82 4.29 0.00 1.97 1.94 0.87 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.16 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 0.00 151 Y 7.33 4.33 0.00 2.62 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 0.00 152 Q 7.51 3.54 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.12 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 153 G 8.98 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 0.00 0.00 0.00 0.00