NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1730 8.1727 122.0499 56.2654 34.1080 173.9764 2 V 4.6525 8.1639 127.0196 60.6680 32.5702 174.4388 3 F 4.4319 10.0422 129.1324 57.5601 40.1858 175.0237 4 E 4.1977 9.1217 121.4079 55.5565 31.0406 176.5309 5 R 3.3574 9.0310 119.4159 61.1387 29.8873 179.2897 6 C 4.3294 8.0126 115.3486 59.7586 38.6902 175.7655 7 E 3.8968 8.1148 120.7108 59.2363 29.2559 178.5332 8 L 3.6459 8.0501 120.1397 57.8496 42.0882 178.6018 9 A 3.9521 7.9248 120.7629 55.4000 18.2339 179.9064 10 R 3.9281 8.0693 116.4594 59.4428 30.0518 179.3942 11 T 3.8469 7.8158 115.6920 66.6368 68.5433 176.7314 12 L 3.8391 8.1514 121.3040 57.4056 41.6145 179.3515 13 K 3.8675 8.0689 119.5838 59.7902 31.9448 179.0719 14 R 4.0031 7.9583 116.8593 58.8460 29.9729 178.0485 15 L 4.3982 7.3294 116.1652 54.2425 41.6666 177.1594 16 G 3.8806 7.8039 106.8117 46.6729 0.0000 175.0570 17 M 3.9148 7.7689 120.9575 56.4451 32.3004 175.6264 18 D 4.3136 7.9984 117.6116 55.8251 40.8565 175.5481 19 G 3.9235 9.2374 115.3910 45.5183 0.0000 171.1006 20 Y 4.1955 8.2225 121.7194 58.6896 38.9539 176.5367 21 R 3.5246 8.9467 127.3375 57.2968 27.7595 177.2369 22 G 3.8082 8.0663 102.8860 45.8281 0.0000 173.9507 23 I 4.0543 7.6691 122.3029 59.4256 38.0201 175.9530 24 S 4.6324 8.3260 120.9009 57.9613 64.9472 174.8277 25 L 4.2328 8.4091 123.2374 58.5063 41.8378 179.3147 26 A 4.1357 8.1466 120.2184 55.2032 18.3167 179.2608 27 N 4.4363 7.9292 115.0289 56.3447 38.5560 177.7007 28 W 4.2408 8.0024 119.9139 59.9591 29.0096 178.5560 29 M 4.1527 8.5173 118.9552 58.6130 31.4607 178.0004 30 C 3.2576 8.0993 118.6334 58.9814 44.2154 175.4375 31 L 3.9925 8.1796 121.8263 58.2453 41.8104 178.8139 32 A 4.2555 8.3794 122.2668 54.3551 18.2786 179.4128 33 K 2.9013 8.3200 118.3252 59.4264 32.0797 179.1849 34 W 4.1865 7.7989 117.3093 59.1504 29.0326 178.3779 35 E 4.3640 8.3656 118.8491 58.7175 28.9042 177.7961 36 S 4.5224 7.9698 109.0752 56.7401 64.8791 174.3685 37 G 3.2097 8.2261 108.8987 47.0167 0.0000 173.3172 38 Y 3.6648 7.7025 113.4303 58.7310 35.1659 168.7527 39 N 5.2903 7.6525 118.2714 51.9728 40.0393 175.3518 40 T 4.1217 9.1263 118.0055 63.6222 69.9752 175.8949 41 R 4.5048 8.1198 117.2522 55.7494 30.4595 176.5443 42 A 4.3720 7.8160 122.6581 52.8917 19.4014 177.4584 43 T 5.0640 8.2781 110.5209 60.2105 72.4601 172.9745 44 N 4.8818 8.7488 121.9145 52.3747 42.2707 172.4046 45 Y 4.8524 8.7370 127.7551 57.0410 41.0223 173.8770 46 N 4.8189 8.4875 124.1636 51.1434 39.2301 175.2916 47 A 3.6428 8.2824 127.8465 54.7213 19.0277 179.1592 48 G 3.7380 8.1413 104.3597 48.3654 0.0000 174.0933 49 D 4.7602 7.7490 117.2782 51.8904 39.7770 176.2592 50 R 4.0741 8.0046 115.8750 56.6726 28.3572 175.9075 51 S 4.9604 7.2800 112.4250 57.1392 66.4099 172.6969 52 T 5.1090 8.8828 115.7374 61.9932 72.8535 172.8806 53 D 5.4283 9.0211 125.3650 53.2830 43.2554 175.0775 54 Y 4.8655 9.3400 120.9359 57.4566 41.6380 177.3295 55 G 4.6095 8.9753 111.7347 46.1784 0.0000 173.5071 56 I 4.0002 8.1062 116.3835 62.8360 37.9580 177.8189 57 F 4.9566 7.9648 115.7029 56.3953 39.9275 175.1279 58 Q 3.5939 8.0305 119.2707 57.0765 26.7914 174.3291 59 I 4.2910 7.9767 118.2958 61.2458 38.9743 176.9592 60 N 5.3860 9.1543 125.7212 53.3799 39.8869 175.7428 61 S 4.6724 9.0588 119.8113 60.1992 63.4609 175.4114 62 R 3.7446 8.7424 122.2856 58.7384 30.3337 177.7631 63 Y 4.5162 7.7592 114.0608 57.3318 40.7120 176.7843 64 W 5.1161 8.0271 118.8146 57.7246 31.5452 173.9828 65 C 5.6226 8.1041 112.1959 53.8100 44.7865 172.3810 66 N 4.9748 9.0471 119.4983 52.1888 40.0838 174.8442 67 D 4.7614 8.6375 123.2450 52.1358 40.5960 177.9562 68 G 4.0177 8.7703 107.8404 46.1135 0.0000 174.6777 69 K 4.4850 7.9691 117.2765 56.5765 32.9253 175.6536 70 T 4.4731 7.6620 117.0205 61.2564 69.6369 172.1129 71 P 4.1556 0.0000 0.0000 64.1335 31.5927 176.1894 72 G 3.9088 8.8187 110.6235 46.3192 0.0000 173.0935 73 A 4.3284 7.4424 120.1759 51.4510 19.5268 177.5855 74 V 4.3481 8.3508 112.3285 59.2430 35.6413 176.1367 75 N 4.9507 7.9985 116.8425 51.9674 37.5735 174.4810 76 A 3.9464 9.0192 125.1117 55.0007 19.1151 178.4976 77 C 4.5510 8.4908 110.9749 57.3390 41.1941 173.0532 78 H 4.0922 7.9705 116.5364 56.5481 26.2354 173.8208 79 L 4.8122 8.3937 118.1719 52.9579 46.5532 176.5216 80 S 4.6792 8.3406 115.0147 57.8853 63.3174 176.0134 81 C 4.0285 8.8176 124.4911 59.7830 40.3135 176.4095 82 S 3.8714 7.8504 114.6391 61.2664 61.6530 175.9631 83 A 4.0393 7.8914 122.4994 54.3435 18.0101 177.9254 84 L 4.4383 7.8626 116.4348 55.1121 41.8748 177.6164 85 L 5.0412 7.9088 117.5966 54.5079 42.3668 176.7116 86 Q 4.3530 7.8746 117.6545 55.4066 29.5493 176.0040 87 D 4.4340 8.5849 120.3916 57.2403 41.1438 176.9751 88 N 4.5574 8.0438 118.0179 53.3736 39.4016 174.7053 89 I 4.2565 8.4463 118.4216 60.8727 37.9856 177.0145 90 A 3.9351 8.5381 124.8984 56.0540 18.1413 180.0239 91 D 4.2661 8.1015 116.3480 57.4069 40.9542 178.7354 92 A 4.0711 7.9839 120.8769 55.0806 18.3563 179.7069 93 V 3.3178 8.1601 116.8248 66.0676 31.6186 178.0778 94 A 3.8226 8.1119 120.7398 55.2710 18.0781 178.8644 95 C 4.2047 8.4536 116.8530 59.7004 37.9569 175.5557 96 A 3.9768 8.4131 122.7850 55.1158 17.5922 179.8041 97 K 3.8038 7.7979 116.4466 59.4309 32.3852 179.1134 98 R 4.0802 7.8124 119.0332 59.4407 29.9187 178.5320 99 V 2.5101 7.6264 118.3379 65.9530 31.0008 177.9807 100 T 4.0958 7.8622 108.0152 63.9511 68.5546 176.2139 101 R 4.1541 7.6421 119.6498 57.2738 30.6445 176.3638 102 D 4.7581 7.4790 119.5116 52.4219 41.9350 175.2560 103 P 4.2422 0.0000 0.0000 66.4074 30.9692 177.8303 104 Q 4.0337 8.1588 117.2201 56.2386 30.0872 177.0126 105 G 3.8613 7.8807 106.6912 46.7436 0.0000 176.0053 106 I 3.5120 7.8130 119.9423 63.5515 37.9235 177.8901 107 R 4.2456 7.2008 117.7364 57.6562 29.9875 177.4149 108 A 4.0560 7.7822 121.3530 54.3757 18.6920 177.7192 109 W 4.5946 8.1254 117.1983 55.5770 29.3836 177.4961 110 V 3.7498 8.6982 124.0020 65.9256 30.8896 177.5913 111 A 4.0334 8.2943 120.2944 54.8022 18.2160 179.2246 112 W 3.9896 8.4440 126.7774 60.6341 30.5794 178.4458 113 R 3.7986 8.2333 116.4584 59.3607 29.6698 178.3909 114 N 4.3882 8.2322 115.2385 55.5282 38.7165 176.8167 115 R 4.1423 7.8941 115.7028 55.7963 31.6425 175.6644 116 C 4.4975 7.1276 114.9501 57.8428 42.8130 174.2782 117 Q 3.2324 6.6725 120.1530 57.2006 28.6279 175.6178 118 N 4.1789 8.6081 121.3707 54.4692 36.2165 173.8967 119 R 4.5135 7.3737 114.4538 54.1320 33.2147 175.9449 120 D 4.5743 8.4291 119.2567 53.9360 40.1774 175.9435 121 V 4.5859 8.1375 118.4065 61.0136 32.6446 178.2397 122 R 4.0355 8.0650 122.0944 59.4233 30.3303 178.8008 123 Q 4.0091 8.1994 115.1641 59.2710 28.4175 178.4781 124 Y 4.2207 8.0074 115.6331 60.1207 38.2425 176.8733 125 V 4.3897 7.7710 110.4498 60.7275 32.7387 175.3466 126 Q 4.1957 7.5860 120.2307 57.2473 28.6807 176.8976 127 G 3.9455 8.9593 110.6646 45.9989 0.0000 174.4060 128 C 4.4381 8.0118 115.5306 56.6945 40.5980 174.1394 129 G 3.8534 8.1374 107.2857 46.5986 0.0000 174.1479 130 V 3.9932 7.8709 118.0888 61.0697 31.9392 175.8925 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 K 8.17 4.17 0.00 2.02 1.64 0.00 1.25 0.00 0.00 1.01 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.85 1.11 7.81 2 V 8.16 4.65 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 0.91 0.00 0.00 0.95 0.00 0.00 3 F 10.04 4.43 0.00 2.86 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 4 E 9.12 4.20 0.00 1.96 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 2.32 2.25 0.00 5 R 9.03 3.36 0.00 1.99 1.90 0.00 3.43 0.00 0.00 3.46 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 6 C 8.01 4.33 0.00 3.01 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.11 3.90 0.00 2.06 2.23 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 2.57 2.41 0.00 8 L 8.05 3.65 0.00 1.40 1.36 -0.23 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.92 3.95 1.36 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 0.00 0.00 0.00 10 R 8.07 3.93 0.00 1.89 1.98 0.00 3.14 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 11 T 7.82 3.85 4.24 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 1.21 0.00 0.00 12 L 8.15 3.84 0.00 1.70 1.55 0.89 0.29 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 13 K 8.07 3.87 0.00 1.97 1.93 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.50 7.81 14 R 7.96 4.00 0.00 1.95 1.97 0.00 3.20 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 15 L 7.33 4.40 0.00 1.59 1.56 0.88 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.80 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 17 M 7.77 3.91 0.00 1.34 1.96 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.19 0.00 18 D 8.00 4.31 0.00 2.66 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 19 G 9.24 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.22 4.20 0.00 3.37 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 21 R 8.95 3.52 0.00 1.82 1.80 0.00 3.25 0.00 0.00 2.97 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.22 0.00 22 G 8.07 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 0.00 0.00 0.00 23 I 7.67 4.05 1.85 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.67 -0.20 0.00 0.00 24 S 8.33 4.63 0.00 4.11 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 25 L 8.41 4.23 0.00 2.13 1.80 0.98 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.15 4.14 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 27 N 7.93 4.44 0.00 2.80 2.74 0.00 0.00 6.95 7.43 0.00 0.00 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 W 8.00 4.24 0.00 3.57 3.10 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 29 M 8.52 4.15 0.00 2.17 2.34 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 2.71 2.94 0.00 30 C 8.10 3.26 0.00 2.43 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 31 L 8.18 3.99 0.00 1.86 1.87 0.77 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.38 4.26 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 33 K 8.32 2.90 0.00 1.74 1.72 0.00 0.61 0.00 0.00 0.85 0.00 0.00 2.61 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.29 0.49 7.81 34 W 7.80 4.19 0.00 3.36 3.30 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 35 E 8.37 4.36 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 2.64 2.56 0.00 36 S 7.97 4.52 0.00 4.06 4.13 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 37 G 8.23 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 38 Y 7.70 3.66 0.00 3.26 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 39 N 7.65 5.29 0.00 2.85 2.84 0.00 0.00 7.01 7.10 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 40 T 9.13 4.12 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 1.54 0.00 0.00 41 R 8.12 4.50 0.00 1.89 2.08 0.00 3.08 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.82 0.00 42 A 7.82 4.37 1.36 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 0.00 0.00 0.00 43 T 8.28 5.06 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 1.26 0.00 0.00 44 N 8.75 4.88 0.00 2.91 2.86 0.00 0.00 6.82 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.74 4.85 0.00 2.98 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 46 N 8.49 4.82 0.00 2.59 2.58 0.00 0.00 6.71 7.79 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 47 A 8.28 3.64 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 48 G 8.14 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.75 4.76 0.00 2.75 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 50 R 8.00 4.07 0.00 2.03 2.17 0.00 3.13 0.00 0.00 3.20 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.53 0.00 51 S 7.28 4.96 0.00 4.05 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 52 T 8.88 5.11 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 0.68 0.00 0.00 53 D 9.02 5.43 0.00 2.71 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 9.34 4.87 0.00 2.90 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 55 G 8.98 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.11 4.00 1.69 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 0.97 2.34 0.11 0.00 0.00 57 F 7.96 4.96 0.00 3.25 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 58 Q 8.03 3.59 0.00 2.53 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.84 0.00 0.00 0.00 0.00 0.00 2.54 2.71 0.00 59 I 7.98 4.29 2.12 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 1.31 1.00 1.09 0.00 0.00 60 N 9.15 5.39 0.00 3.09 3.04 0.00 0.00 6.98 7.34 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 61 S 9.06 4.67 0.00 4.06 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 0.00 62 R 8.74 3.74 0.00 1.56 1.15 0.00 2.65 0.00 0.00 2.86 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.01 0.00 63 Y 7.76 4.52 0.00 1.55 2.02 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 64 W 8.03 5.12 0.00 3.50 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 65 C 8.10 5.62 0.00 3.05 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 66 N 9.05 4.97 0.00 2.84 2.70 0.00 0.00 7.03 9.17 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 67 D 8.64 4.76 0.00 2.97 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 68 G 8.77 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 69 K 7.97 4.49 0.00 1.82 1.89 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.45 7.81 70 T 7.66 4.47 4.24 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 1.21 0.00 0.00 71 P 0.00 4.16 0.00 2.01 2.01 0.00 3.82 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 72 G 8.82 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 73 A 7.44 4.33 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 74 V 8.35 4.35 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 0.62 0.00 0.00 0.88 0.00 0.00 75 N 8.00 4.95 0.00 2.75 2.57 0.00 0.00 6.77 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 9.02 3.95 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 77 C 8.49 4.55 0.00 3.30 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 78 H 7.97 4.09 0.00 3.29 3.36 0.00 5.81 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 79 L 8.39 4.81 0.00 1.67 1.50 1.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.34 4.68 0.00 3.83 3.68 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 81 C 8.82 4.03 0.00 2.22 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 82 S 7.85 3.87 0.00 3.89 3.82 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 83 A 7.89 4.04 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 84 L 7.86 4.44 0.00 1.94 1.83 1.07 0.41 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 85 L 7.91 5.04 0.00 1.75 1.71 1.13 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.87 4.35 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.48 7.08 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 87 D 8.58 4.43 0.00 2.63 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 88 N 8.04 4.56 0.00 2.70 2.74 0.00 0.00 6.93 7.94 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 89 I 8.45 4.26 1.77 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.74 0.98 0.00 0.00 90 A 8.54 3.94 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 91 D 8.10 4.27 0.00 2.75 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 92 A 7.98 4.07 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 93 V 8.16 3.32 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 0.78 0.00 0.00 0.87 0.00 0.00 94 A 8.11 3.82 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 95 C 8.45 4.20 0.00 3.13 3.28 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 96 A 8.41 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.80 3.80 0.00 1.59 1.40 0.00 1.28 0.00 0.00 0.82 0.00 0.00 2.30 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.30 0.86 7.81 98 R 7.81 4.08 0.00 1.99 2.15 0.00 3.30 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.97 0.00 99 V 7.63 2.51 1.83 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 -0.34 0.00 0.00 -0.48 0.00 0.00 100 T 7.86 4.10 4.33 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 1.59 0.00 0.00 101 R 7.64 4.15 0.00 2.07 2.10 0.00 3.26 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.07 0.00 102 D 7.48 4.76 0.00 3.05 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 0.00 103 P 0.00 4.24 0.00 2.15 2.21 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 104 Q 8.16 4.03 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.81 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 105 G 7.88 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 0.00 106 I 7.81 3.51 1.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.69 0.00 0.00 107 R 7.20 4.25 0.00 1.99 2.03 0.00 3.22 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.57 0.00 108 A 7.78 4.06 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.13 4.59 0.00 3.49 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 0.00 110 V 8.70 3.75 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 1.18 0.00 0.00 0.99 0.00 0.00 111 A 8.29 4.03 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 0.00 112 W 8.44 3.99 0.00 3.47 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 0.00 113 R 8.23 3.80 0.00 2.10 2.01 0.00 3.60 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 1.79 2.12 0.00 114 N 8.23 4.39 0.00 2.66 2.72 0.00 0.00 6.92 8.37 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 0.00 115 R 7.89 4.14 0.00 0.89 0.78 0.00 2.82 0.00 0.00 2.88 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.03 0.00 116 C 7.13 4.50 0.00 1.62 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 6.67 3.23 0.00 0.93 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.81 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 118 N 8.61 4.18 0.00 2.79 2.81 0.00 0.00 6.90 7.66 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 0.00 119 R 7.37 4.51 0.00 1.83 1.78 0.00 3.22 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 120 D 8.43 4.57 0.00 2.64 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.14 4.59 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 0.95 0.00 0.00 1.05 0.00 0.00 122 R 8.06 4.04 0.00 1.98 2.03 0.00 3.16 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 123 Q 8.20 4.01 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.91 0.00 0.00 0.00 0.00 0.00 2.21 1.61 0.00 124 Y 8.01 4.22 0.00 3.23 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 0.00 125 V 7.77 4.39 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 0.98 0.00 0.00 1.05 0.00 0.00 126 Q 7.59 4.20 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.78 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 127 G 8.96 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 0.00 128 C 8.01 4.44 0.00 3.08 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 0.00 129 G 8.14 3.85 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 0.00 0.00 0.00 130 V 7.87 3.99 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 0.76 0.00 0.00 0.96 0.00 0.00