NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2516 8.3044 120.3470 55.6375 33.1340 174.3627 2 H 4.4344 8.8015 126.6583 54.2158 30.0282 172.0055 3 L 4.8948 7.7701 126.6004 52.5540 45.6927 176.7286 4 T 4.1722 8.7149 112.2663 60.7215 70.9509 173.8748 5 P 4.2318 0.0000 0.0000 65.6677 31.2466 178.8268 6 E 3.9781 8.0392 115.9922 59.3198 29.6939 178.7735 7 E 3.9093 7.9469 119.1631 59.1099 29.5186 179.5033 8 K 3.8484 7.9914 118.2769 59.5588 32.0999 179.5919 9 S 4.0772 8.1203 115.0933 61.6347 62.6516 176.6815 10 A 4.1076 8.0798 123.3653 54.9300 18.1480 180.0051 11 V 3.5176 7.6446 117.2066 66.3901 31.5067 178.4680 12 T 3.9943 8.1115 109.5120 64.6259 68.3491 176.3393 13 A 4.0331 8.4700 123.1333 55.0013 18.6945 179.1119 14 L 3.9286 7.8445 119.0363 57.9350 42.1657 178.9195 15 W 4.3449 8.5739 128.1958 60.1893 30.4243 177.8565 16 G 3.8454 7.9965 104.6375 46.3786 0.0000 174.0768 17 K 4.4633 7.8674 119.1456 56.0551 32.6939 176.2841 18 V 3.7940 7.2151 119.9946 61.7277 32.2218 175.8867 19 N 4.4884 8.2491 125.2722 52.4439 38.8403 175.4308 20 V 3.4531 8.1127 128.4972 66.0895 31.6752 177.3886 21 D 4.3131 8.0320 118.0308 57.2595 40.8264 178.1803 22 E 3.8706 8.4951 119.8292 59.3638 29.6103 179.0891 23 V 3.6363 8.0412 118.7080 65.6418 31.5024 178.2955 24 G 3.6674 8.4755 106.1679 47.8102 0.0000 176.0512 25 G 3.6414 8.1497 108.4312 47.2369 0.0000 175.4822 26 E 3.9284 8.0845 121.4223 58.9879 29.6704 178.7920 27 A 3.9590 8.2157 121.1304 55.0199 18.5278 179.4184 28 L 4.0088 8.0102 119.1270 58.1261 42.1912 179.4689 29 G 3.5380 7.9558 105.3706 47.8165 0.0000 176.0400 30 R 3.8949 8.0922 120.4908 58.4777 29.9781 178.5778 31 L 3.9409 7.9143 120.3944 58.5577 42.1356 179.3483 32 L 4.0562 7.7946 119.4844 56.6250 41.2196 179.6212 33 V 3.6066 7.2188 117.6961 65.5237 31.7063 177.8018 34 V 3.6141 7.9328 117.0418 64.0030 32.7742 175.5616 35 Y 3.8489 7.1597 116.5626 54.5582 37.6539 174.2392 36 P 4.7925 0.0000 0.0000 63.7639 31.7471 177.5973 37 W 4.3182 8.0230 115.7604 59.1610 28.2139 177.4880 38 T 4.3555 7.7125 109.9646 63.3310 68.2741 175.9360 39 Q 4.4601 8.3816 122.0069 57.9936 28.5224 177.9054 40 R 3.6983 7.4727 116.3402 58.9377 29.2306 177.6289 41 F 4.1558 7.4949 114.2849 58.0763 39.3930 175.7444 42 F 4.3885 8.0241 119.8507 56.8058 39.6109 176.9083 43 E 3.9880 8.4150 122.9093 59.1383 29.2612 178.0131 44 S 4.7490 8.0494 111.2664 58.2801 63.2869 174.6366 45 F 4.7466 8.3496 120.1581 57.6986 40.2174 175.9435 46 G 4.0891 8.0342 104.7822 44.3945 0.0000 175.0049 47 D 4.6214 8.7904 126.4923 53.6101 41.3420 175.6584 48 L 4.8589 8.3857 126.0315 54.4983 42.7368 177.8990 49 S 4.3264 9.1271 116.8856 60.5829 63.4591 174.6461 50 T 4.7400 7.4254 110.2069 58.2650 72.9778 172.7232 51 P 4.1802 0.0000 0.0000 65.9913 31.3359 178.6279 52 D 4.2662 8.1189 116.8557 57.4592 40.5345 178.7029 53 A 3.9811 7.6533 120.0574 54.8883 18.7037 179.6498 54 V 3.6813 8.4542 117.2025 66.5869 31.4659 178.3386 55 M 4.2199 8.6863 117.7282 57.7218 31.8375 178.0024 56 G 4.0114 7.9383 103.4205 43.4886 0.0000 173.1332 57 N 4.4820 7.6243 121.7766 52.5371 39.4142 174.0966 58 P 4.2467 0.0000 0.0000 65.5698 31.3984 178.8034 59 K 3.6537 8.2467 118.7584 59.0149 31.9016 179.2927 60 V 3.7068 7.9714 118.0094 66.0582 31.5267 177.8782 61 K 3.8770 8.2093 118.0026 59.6501 31.9952 179.2168 62 A 4.0270 8.1362 120.8984 55.2156 18.1487 179.2193 63 H 4.3136 8.7647 117.5048 59.3457 29.9439 177.4877 64 G 3.7773 8.6558 108.2538 47.9543 0.0000 175.6925 65 K 4.0393 8.1956 121.2098 59.3032 32.7480 179.2423 66 K 3.9290 7.9441 120.7381 59.2929 32.1992 178.9293 67 V 3.6212 8.0131 118.7427 66.0970 31.5946 177.6405 68 L 4.4394 8.3678 119.4758 57.1116 41.9408 178.9213 69 G 3.7267 8.4633 106.1153 47.9877 0.0000 175.5946 70 A 4.3701 8.0432 124.3810 54.2329 18.2062 179.3264 71 F 4.1251 8.2845 118.1595 61.6495 39.7581 176.7311 72 S 4.3182 8.9307 112.9423 61.8737 61.8612 175.9858 73 D 4.4893 8.3884 121.4790 57.3382 40.4845 179.0400 74 G 3.4826 8.0037 105.9435 47.2230 0.0000 175.4235 75 L 3.7679 7.2293 119.2656 56.5322 41.6330 178.2047 76 A 4.2325 7.4557 118.8944 52.8547 19.2703 176.6982 77 H 4.8995 8.1062 115.5333 54.9458 29.8702 175.5771 78 L 3.9758 8.0736 120.1160 57.3224 41.7472 178.1039 79 D 4.7483 7.8513 116.4949 54.1220 41.5525 176.6497 80 N 4.9292 8.1881 119.0857 51.0854 39.8376 176.0921 81 L 4.0392 8.0387 121.2114 57.7857 41.8104 179.1298 82 K 4.0819 8.1010 118.1160 59.4918 31.8399 179.4711 83 G 3.6072 8.0203 103.9777 48.1657 0.0000 175.2201 84 T 3.7943 7.7110 117.2297 65.4807 68.5942 175.5720 85 F 4.8349 7.8432 116.0127 56.7100 39.7128 176.9608 86 A 4.0956 7.6916 121.7456 55.8377 18.1797 180.3374 87 T 3.9529 7.8883 107.3391 64.7573 69.0263 176.6630 88 L 4.1120 7.9837 121.5178 57.3506 41.7142 179.1888 89 S 4.2953 8.4601 113.7703 61.5331 62.4379 175.9123 90 E 3.9056 8.2729 121.2837 59.3702 29.2204 179.1302 91 L 3.9357 8.1044 120.2635 58.6561 42.1883 178.8450 92 H 4.2720 8.3326 115.9289 58.3997 28.1230 177.3590 93 C 3.5386 7.7385 120.7578 62.3173 31.1982 175.3922 94 D 4.1451 8.2528 119.6282 56.3008 40.4906 177.3276 95 K 4.3238 7.7185 116.4368 57.4395 33.9856 177.1895 96 L 4.1492 7.7282 116.6670 54.8280 42.3867 176.1783 97 H 4.0385 7.0703 114.3349 56.7025 26.4465 175.5088 98 V 3.9826 7.8224 118.6145 60.8321 32.2304 174.7226 99 D 4.3414 8.8343 127.4775 54.0119 41.5746 175.2139 100 P 3.2401 0.0000 0.0000 64.3228 31.7853 177.9431 101 E 3.9056 8.3130 119.2986 59.2103 29.2315 178.3698 102 N 4.2940 8.1312 116.8941 56.1772 38.5100 177.2191 103 F 4.4281 7.2616 118.9585 60.6929 38.9627 177.9638 104 R 4.0036 7.9291 117.2414 59.1678 30.0189 178.8515 105 L 3.8842 7.8688 118.8878 57.6749 41.4718 179.3726 106 L 4.1188 8.3953 120.8066 57.9761 42.0129 179.1828 107 G 3.6492 8.2723 105.8021 47.9924 0.0000 175.4738 108 N 4.4775 8.3714 118.9015 55.9825 38.4958 177.7798 109 V 3.6529 8.0365 119.8538 65.7444 31.5105 177.8681 110 L 3.8785 8.2685 120.5948 58.1237 41.9405 179.1198 111 V 3.5369 7.8854 118.2227 66.1628 31.3503 177.8287 112 C 4.1308 8.0448 116.3492 62.7064 27.8675 176.2162 113 V 3.5188 7.9063 119.9341 65.9904 31.0413 178.0943 114 L 3.8899 8.0210 118.8052 57.5738 41.3335 179.3703 115 A 3.7304 7.3659 120.7220 55.1435 18.0693 179.1640 116 H 4.0825 8.1247 115.9860 59.7732 30.0680 176.6877 117 H 3.9118 8.2551 118.9277 58.3030 30.0120 176.1911 118 F 4.6977 8.5173 117.1764 55.8982 40.2332 177.1360 119 G 3.8733 8.7751 109.5658 46.0709 0.0000 177.3758 120 K 4.2079 8.8214 122.8192 58.9359 32.4052 177.6948 121 E 4.0945 8.1406 120.0110 58.3425 29.9486 177.0133 122 F 4.5558 8.2334 123.3980 57.2296 37.8523 175.3938 123 T 4.2534 7.3230 115.7815 59.8548 71.4851 173.7160 124 P 4.1451 0.0000 0.0000 65.6119 31.4869 177.3006 125 P 4.2067 0.0000 0.0000 65.3769 31.2480 178.9070 126 V 3.5969 7.3396 116.1211 65.7252 31.3907 177.8492 127 Q 3.6364 7.9736 119.6435 58.9143 28.9125 177.9987 128 A 4.0024 8.0626 121.6676 55.2719 18.4946 179.5484 129 A 3.9294 7.9329 118.8522 55.5495 18.3908 179.5468 130 Y 3.8728 8.2810 115.2576 61.1498 38.0303 178.7168 131 Q 4.1154 8.9032 119.5828 58.8566 28.7341 178.9340 132 K 4.0118 7.9902 119.1481 59.3452 32.0227 179.6354 133 V 3.5021 7.6720 118.2551 66.1651 31.4668 178.6062 134 V 3.7895 8.2613 112.1653 64.2676 31.2511 178.4845 135 A 4.1263 8.1164 120.5275 54.9598 18.1164 179.9204 136 G 3.4973 8.3053 104.4519 47.8300 0.0000 176.1401 137 V 3.3519 7.9865 120.7098 65.5524 31.6041 177.7761 138 A 3.8684 8.0049 120.4990 55.4728 17.9785 179.4373 139 N 4.3123 8.2121 113.6057 56.3438 38.6867 177.2771 140 A 4.1521 8.2381 122.5196 55.1379 18.2599 179.6873 141 L 3.8035 7.8038 116.4433 56.9576 41.9762 178.5586 142 A 4.3586 7.6672 118.9762 52.9683 18.8685 178.4627 143 H 4.2398 7.8793 116.8152 58.6738 29.9463 175.8036 144 K 4.4509 8.0302 117.4285 56.2907 32.0699 176.2870 145 Y 4.2925 7.9471 117.3549 58.3765 38.4419 175.6191 146 H 4.4754 8.4072 117.4601 56.1419 28.3812 173.2431 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 4.25 0.00 2.29 2.03 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 2 H 8.80 4.43 0.00 3.19 3.20 0.00 5.73 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.77 4.89 0.00 1.55 1.56 0.80 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.71 4.17 4.38 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 1.19 0.00 0.00 5 P 0.00 4.23 0.00 2.15 2.12 0.00 3.56 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 6 E 8.04 3.98 0.00 2.14 2.19 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 2.33 2.32 0.00 7 E 7.95 3.91 0.00 2.20 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 8 K 7.99 3.85 0.00 1.91 1.79 0.00 1.60 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.52 7.81 9 S 8.12 4.08 0.00 3.99 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 10 A 8.08 4.11 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 11 V 7.64 3.52 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 0.54 0.00 0.00 0.45 0.00 0.00 12 T 8.11 3.99 4.28 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 1.26 0.00 0.00 13 A 8.47 4.03 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 14 L 7.84 3.93 0.00 1.72 1.85 0.02 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.57 4.34 0.00 3.82 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 16 G 8.00 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 17 K 7.87 4.46 0.00 2.07 2.09 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.25 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.41 7.81 18 V 7.22 3.79 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 -0.01 0.00 0.00 0.75 0.00 0.00 19 N 8.25 4.49 0.00 2.72 2.81 0.00 0.00 6.83 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 20 V 8.11 3.45 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 1.26 0.00 0.00 0.92 0.00 0.00 21 D 8.03 4.31 0.00 2.84 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.50 3.87 0.00 1.99 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 2.24 2.27 0.00 23 V 8.04 3.64 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 0.96 0.00 0.00 0.64 0.00 0.00 24 G 8.48 3.67 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 0.00 0.00 0.00 25 G 8.15 3.64 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 0.00 26 E 8.08 3.93 0.00 2.08 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 0.00 2.25 2.32 0.00 27 A 8.22 3.96 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 28 L 8.01 4.01 0.00 1.76 1.63 0.91 1.11 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 29 G 7.96 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 0.00 0.00 0.00 30 R 8.09 3.89 0.00 1.90 1.90 0.00 3.09 0.00 0.00 3.01 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 31 L 7.91 3.94 0.00 1.89 1.90 1.01 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.79 4.06 0.00 1.69 1.67 0.71 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.22 3.61 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 0.71 0.00 0.00 0.93 0.00 0.00 34 V 7.93 3.61 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 -0.13 0.00 0.00 0.73 0.00 0.00 35 Y 7.16 3.85 0.00 2.43 1.43 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 0.00 0.00 0.00 0.00 36 P 0.00 4.79 0.00 2.23 2.09 0.00 3.86 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 2.20 1.97 0.00 37 W 8.02 4.32 0.00 3.53 3.44 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 38 T 7.71 4.36 4.42 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 1.15 0.00 0.00 39 Q 8.38 4.46 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 40 R 7.47 3.70 0.00 1.57 2.00 0.00 2.98 0.00 0.00 2.65 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 41 F 7.49 4.16 0.00 1.61 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.02 4.39 0.00 2.84 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 0.00 0.00 0.00 43 E 8.41 3.99 0.00 1.93 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 0.00 2.26 2.23 0.00 44 S 8.05 4.75 0.00 4.10 4.05 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 0.00 0.00 0.00 45 F 8.35 4.75 0.00 3.18 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 46 G 8.03 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 0.00 0.00 0.00 47 D 8.79 4.62 0.00 2.65 2.61 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 48 L 8.39 4.86 0.00 1.66 1.62 0.99 1.02 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 49 S 9.13 4.33 0.00 3.94 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 50 T 7.43 4.74 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 51 P 0.00 4.18 0.00 2.15 2.10 0.00 3.59 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 2.09 2.15 0.00 52 D 8.12 4.27 0.00 2.67 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 53 A 7.65 3.98 1.46 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 0.00 0.00 0.00 54 V 8.45 3.68 2.19 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 1.04 0.00 0.00 0.98 0.00 0.00 55 M 8.69 4.22 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.91 0.00 56 G 7.94 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 57 N 7.62 4.48 0.00 3.00 2.81 0.00 0.00 6.92 7.62 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 58 P 0.00 4.25 0.00 2.25 2.26 0.00 3.73 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 59 K 8.25 3.65 0.00 1.72 0.74 0.00 1.50 0.00 0.00 1.07 0.00 0.00 2.79 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.14 1.25 7.81 60 V 7.97 3.71 2.24 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 0.92 0.00 0.00 1.00 0.00 0.00 61 K 8.21 3.88 0.00 1.95 1.83 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.55 7.81 62 A 8.14 4.03 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 63 H 8.76 4.31 0.00 3.62 3.57 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 64 G 8.66 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.20 4.04 0.00 2.32 2.09 0.00 1.45 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.47 7.81 66 K 7.94 3.93 0.00 2.06 2.02 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.50 1.51 7.81 67 V 8.01 3.62 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 0.98 0.00 0.00 0.92 0.00 0.00 68 L 8.37 4.44 0.00 2.00 1.80 0.83 1.44 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 69 G 8.46 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 70 A 8.04 4.37 1.57 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 0.00 0.00 71 F 8.28 4.13 0.00 3.06 3.31 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 72 S 8.93 4.32 0.00 4.53 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 0.00 73 D 8.39 4.49 0.00 2.83 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 74 G 8.00 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 75 L 7.23 3.77 0.00 1.42 1.41 -0.48 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.46 4.23 1.15 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 0.00 0.00 77 H 8.11 4.90 0.00 3.05 3.12 0.00 5.82 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.07 3.98 0.00 1.53 1.64 0.76 0.91 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 79 D 7.85 4.75 0.00 2.60 2.66 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 80 N 8.19 4.93 0.00 2.69 2.62 0.00 0.00 7.20 6.20 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 81 L 8.04 4.04 0.00 1.76 1.85 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.10 4.08 0.00 1.75 1.78 0.00 1.54 0.00 0.00 1.52 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.46 7.81 83 G 8.02 3.61 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 84 T 7.71 3.79 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 85 F 7.84 4.83 0.00 3.16 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 86 A 7.69 4.10 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 87 T 7.89 3.95 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 1.21 0.00 0.00 88 L 7.98 4.11 0.00 2.11 1.90 1.20 0.94 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 89 S 8.46 4.30 0.00 4.04 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.27 3.91 0.00 2.18 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.63 0.00 91 L 8.10 3.94 0.00 1.83 1.85 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.33 4.27 0.00 3.54 3.69 0.00 5.86 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.74 3.54 0.00 1.23 2.31 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 94 D 8.25 4.15 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 95 K 7.72 4.32 0.00 1.79 1.78 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.34 7.81 96 L 7.73 4.15 0.00 1.71 1.62 0.69 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.07 4.04 0.00 3.31 3.43 0.00 5.64 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.82 3.98 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 0.16 0.00 0.00 0.52 0.00 0.00 99 D 8.83 4.34 0.00 2.78 2.61 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 0.00 100 P 0.00 3.24 0.00 1.96 1.90 0.00 3.40 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.57 0.00 101 E 8.31 3.91 0.00 2.04 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 2.31 2.40 0.00 102 N 8.13 4.29 0.00 2.46 2.72 0.00 0.00 6.90 8.93 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 0.00 103 F 7.26 4.43 0.00 3.13 2.90 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 0.00 104 R 7.93 4.00 0.00 2.00 1.97 0.00 3.12 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 105 L 7.87 3.88 0.00 1.71 1.38 0.74 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.40 4.12 0.00 1.78 1.86 0.92 1.21 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 0.00 107 G 8.27 3.65 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 0.00 108 N 8.37 4.48 0.00 2.95 2.96 0.00 0.00 6.67 6.98 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 0.00 109 V 8.04 3.65 2.25 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 1.08 0.00 0.00 1.14 0.00 0.00 110 L 8.27 3.88 0.00 1.75 1.76 0.92 0.48 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 0.00 111 V 7.89 3.54 2.30 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 1.30 0.00 0.00 1.17 0.00 0.00 112 C 8.04 4.13 0.00 3.20 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.91 3.52 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 1.10 0.00 0.00 0.90 0.00 0.00 114 L 8.02 3.89 0.00 0.97 1.15 0.64 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.37 3.73 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 0.00 116 H 8.12 4.08 0.00 3.16 3.42 0.00 5.78 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 0.00 117 H 8.26 3.91 0.00 3.08 3.09 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 0.00 118 F 8.52 4.70 0.00 3.24 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 0.00 119 G 8.78 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 0.00 0.00 0.00 120 K 8.82 4.21 0.00 1.92 2.01 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.48 7.81 121 E 8.14 4.09 0.00 2.11 2.33 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 2.36 2.30 0.00 122 F 8.23 4.56 0.00 3.01 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 0.00 123 T 7.32 4.25 4.21 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 1.30 0.00 0.00 124 P 0.00 4.15 0.00 2.15 2.14 0.00 3.57 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 2.18 0.00 125 P 0.00 4.21 0.00 2.11 2.07 0.00 3.48 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 2.08 2.11 0.00 126 V 7.34 3.60 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 1.01 0.00 0.00 0.90 0.00 0.00 127 Q 7.97 3.64 0.00 1.64 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 128 A 8.06 4.00 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 0.00 129 A 7.93 3.93 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 0.00 130 Y 8.28 3.87 0.00 3.45 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 0.00 131 Q 8.90 4.12 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.76 2.62 0.00 132 K 7.99 4.01 0.00 1.94 1.83 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.63 7.81 133 V 7.67 3.50 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 0.92 0.00 0.00 0.75 0.00 0.00 134 V 8.26 3.79 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.13 0.00 0.00 135 A 8.12 4.13 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 G 8.31 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 0.00 137 V 7.99 3.35 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 0.78 0.00 0.00 0.86 0.00 0.00 138 A 8.00 3.87 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 0.00 139 N 8.21 4.31 0.00 2.82 2.90 0.00 0.00 7.06 8.16 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 0.00 140 A 8.24 4.15 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 0.00 141 L 7.80 3.80 0.00 0.71 0.68 -0.10 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.67 4.36 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 0.00 143 H 7.88 4.24 0.00 3.30 3.54 0.00 5.74 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 0.00 144 K 8.03 4.45 0.00 1.85 1.82 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.51 1.58 7.81 145 Y 7.95 4.29 0.00 3.09 2.95 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 0.00 146 H 8.41 4.48 0.00 3.21 3.22 0.00 5.75 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