NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1C H 4.7983 8.4449 117.8393 56.2820 29.9186 172.8200 1D H 4.6088 8.8739 120.1752 55.5277 29.5967 172.5179 1E H 5.1015 7.5957 115.7221 53.6891 33.6248 171.9066 1F H 4.6040 8.9576 116.9181 56.0591 28.8417 174.4195 1G F 4.8599 8.4335 119.2681 57.8354 39.9028 174.1626 2 N 4.6061 8.4695 117.2703 52.3690 38.8637 174.4542 3 L 4.7135 8.1449 123.5012 52.2564 43.8316 174.4030 4 P 4.6291 0.0000 0.0000 60.9069 32.6961 174.1028 5 P 4.3309 0.0000 0.0000 62.7650 32.0877 174.6174 6 G 4.0793 7.8601 104.6372 43.6202 0.0000 172.4861 7 N 4.6284 7.9951 116.2199 51.2246 40.3654 173.7856 8 Y 4.7478 7.9875 114.2167 57.8258 38.5013 176.9726 9 K 4.0990 9.2322 121.9117 58.9804 32.2759 177.3085 10 K 4.6907 7.6318 115.5074 53.3628 34.7548 174.1409 11 P 4.8576 0.0000 0.0000 63.5265 32.7479 174.7605 12 K 5.1128 9.4340 119.3416 56.1165 36.8346 174.4184 13 L 5.2321 9.6413 121.0751 53.4338 44.4601 176.3289 14 L 5.1265 8.8532 122.0958 53.3612 43.3332 173.7223 15 Y 4.9106 9.2893 125.7848 56.7491 40.6130 173.4648 16 C 4.1205 9.0879 129.2550 57.3583 32.1758 174.3906 17 S 3.8733 7.3607 119.5759 59.9704 63.0418 175.2209 18 N 4.1404 7.8653 119.8268 56.3449 38.4567 175.4337 19 G 3.8603 7.6640 102.6726 44.3342 0.0000 172.4574 20 G 3.4759 7.9119 107.4636 44.9407 0.0000 173.2877 21 H 5.0433 7.2766 114.3173 53.6433 33.0619 174.2479 22 F 5.4137 9.0151 120.5014 56.0029 40.5157 175.4243 23 L 4.6076 9.3451 126.3386 55.7289 43.3588 175.7237 24 R 5.1251 9.4397 124.7438 54.9931 34.1611 173.7624 25 I 4.9476 8.5378 126.3650 59.4197 39.2423 175.6973 26 L 4.1183 9.1781 128.1344 53.5238 42.2111 176.9242 27 P 4.0891 0.0000 0.0000 65.6312 31.2953 177.1800 28 D 4.5390 7.9971 114.8950 53.5370 39.9940 177.0628 29 G 4.1486 8.8961 110.5013 45.3083 0.0000 174.0215 30 T 4.2863 8.4045 117.7751 63.5423 68.9841 173.2925 31 V 4.9267 8.1192 125.1866 61.2085 34.1131 174.3924 32 D 4.6119 8.6898 125.5862 52.9884 42.6456 174.0625 33 G 4.6147 8.7331 104.8456 45.3853 0.0000 172.4195 34 T 5.0111 8.8955 115.5486 60.4507 70.8693 174.8271 35 R 4.1869 8.9382 125.1015 57.2870 30.9993 176.2773 36 D 4.5362 8.2680 118.5063 53.7110 40.2209 176.5720 37 R 3.6884 8.6107 128.0384 58.4334 30.2849 177.3498 38 S 4.3215 8.8040 111.1606 58.8426 63.6694 174.0697 39 D 4.3358 7.6889 121.3292 55.3734 41.1751 175.8990 40 Q 4.3135 8.5122 123.2874 56.3888 29.1016 175.6317 41 H 4.8155 9.4622 116.5472 55.4943 29.4249 174.5567 42 I 4.5102 7.1886 109.9076 59.8058 38.5760 174.8485 43 Q 4.4804 7.2819 122.7514 54.7125 30.5919 174.5412 44 F 5.3456 9.0595 122.1137 55.6641 43.7148 173.7714 45 Q 4.7567 9.3475 124.0169 54.7590 30.1941 174.5672 46 L 5.2802 8.6347 126.8060 54.0827 43.5541 176.2195 47 S 4.5331 8.6679 114.6869 57.0040 66.8098 172.5218 48 A 4.5926 8.2257 122.6761 52.0236 20.5248 174.5172 49 E 3.9315 8.9510 122.6655 57.0367 28.8795 178.0972 50 S 4.6419 5.8100 113.8901 56.5278 65.5022 173.7718 51 V 3.8043 8.2040 121.3721 64.8371 31.5226 176.3036 52 G 3.9610 9.1978 114.6225 45.2952 0.0000 171.9622 53 E 5.1552 8.2462 119.8765 54.7371 32.1496 175.5934 54 V 4.8837 8.9491 116.0576 59.9438 36.8329 173.7572 55 Y 5.0976 8.8689 120.1919 56.4015 40.9903 175.1110 56 I 4.3872 8.6259 123.8145 59.6002 39.9690 173.9826 57 K 4.6489 8.6529 129.3385 53.9950 34.6474 175.1419 58 S 4.6182 9.3615 123.6815 58.6779 62.5840 174.9002 59 T 3.8466 8.4032 118.7528 64.3745 68.6593 175.7443 60 E 4.0573 8.1654 122.6664 58.0329 29.9653 176.8582 61 T 4.3329 8.2125 106.9700 60.7294 70.4194 175.4719 62 G 3.8718 8.3389 110.1770 45.0672 0.0000 173.6734 63 Q 4.4973 7.8417 119.1354 56.1107 30.3264 174.5678 64 Y 4.8655 8.9665 119.9190 55.9288 40.7239 175.1656 65 L 4.3489 8.9953 126.4038 55.3941 43.3396 175.6135 66 A 5.1496 8.6353 126.1723 50.8989 23.3695 174.4909 67 M 5.3663 8.6570 118.8856 53.8174 35.0089 175.2753 68 D 5.1903 9.9104 126.3057 52.1061 40.6875 177.2382 69 T 4.1674 8.5460 108.9299 64.1661 68.5832 174.5518 70 D 4.6425 8.4285 120.1940 54.3231 41.6780 177.0479 71 G 3.1460 8.7685 109.1277 44.4680 0.0000 172.7260 72 L 4.6743 8.2477 120.4518 53.5627 43.4242 175.9257 73 V 4.8535 8.3777 123.5593 62.4203 32.6313 174.4226 74 Y 4.9536 9.0487 125.2005 55.6415 42.2162 173.7579 75 G 4.2353 8.8508 107.9850 45.4293 0.0000 173.2763 76 S 5.0722 9.0715 121.2194 56.8326 63.9091 175.3671 77 Q 4.3212 9.0674 125.3363 58.3169 28.9137 176.3967 78 T 4.5967 7.5368 106.2604 58.7600 71.7477 172.1552 79 P 3.8965 0.0000 0.0000 61.6966 30.8404 174.3639 80 N 5.1736 8.0741 122.3594 50.7541 40.5736 174.5290 81 E 3.9076 8.7111 114.3389 59.4894 29.3941 178.0507 82 E 4.1794 9.1806 118.3859 57.5013 29.7757 177.2901 83 C 5.0753 7.7592 115.1473 58.8315 29.2903 173.5341 84 L 4.1940 7.1264 120.9684 54.0089 42.5025 175.9445 85 F 5.1703 8.8925 121.9242 55.5506 43.1384 174.5002 86 L 4.8697 9.2053 123.2312 53.7400 42.6113 175.6252 87 E 4.4327 8.8988 127.1012 55.3347 30.0542 175.6779 88 R 4.8016 8.6052 125.6380 54.0244 34.7885 174.6888 89 L 4.7764 8.6081 123.2415 55.0829 43.2175 175.7609 90 E 4.6802 8.8871 124.3654 55.2304 33.5494 174.9845 91 E 3.9453 9.6202 124.4408 57.9957 27.2292 174.1853 92 N 4.3196 8.5599 110.4759 54.1807 36.6490 174.1486 93 H 4.7707 8.5176 116.2590 57.7290 36.6606 173.5056 94 Y 4.6202 7.8763 115.9533 57.4539 40.1443 173.3845 95 N 5.5792 9.6702 118.2603 51.9386 41.1513 174.6213 96 T 5.1786 8.7924 112.9179 60.0844 72.8542 172.5004 97 Y 5.0500 8.6489 119.8947 56.5850 41.2720 174.2343 98 I 4.7490 8.6656 126.0593 59.0416 39.7077 175.3371 99 S 3.6639 8.7061 122.1413 58.6693 62.3171 174.0322 100 K 3.9272 8.8742 129.5720 59.4046 32.2895 178.5965 101 K 3.7054 7.9029 118.0838 59.1820 32.1355 176.8141 102 H 4.7015 7.9651 114.6857 54.9968 29.4330 176.1586 103 A 3.9334 7.7407 126.1850 55.3415 18.2170 180.8136 104 E 3.7350 7.8641 111.9536 58.4395 29.7789 177.8063 105 K 3.9045 7.7673 118.0184 56.0033 32.7646 175.9267 106 N 3.8480 7.4386 115.4093 53.9287 36.2419 174.9852 107 W 5.0166 7.6400 118.1042 55.7807 30.9006 177.2986 108 F 5.4424 9.3902 124.0911 55.4613 41.3175 175.1198 109 L 4.4789 8.9294 122.9736 54.8770 43.2166 175.8151 110 G 4.2993 8.5136 111.0384 45.4732 0.0000 171.5369 111 I 5.1051 7.9591 121.4191 58.9932 40.2170 176.3209 112 K 4.1916 8.9991 126.5152 55.7088 32.6080 178.3675 113 K 4.1640 8.5175 120.1991 59.0833 31.9877 177.6660 114 N 4.6066 8.1105 114.3694 52.3521 37.6654 175.9841 115 G 3.5537 8.5862 108.4383 45.3650 0.0000 173.0776 116 S 4.9582 7.9373 115.6760 56.5700 64.9545 174.4040 117 V 4.2161 8.3194 122.8550 61.9202 31.9609 175.8846 118 K 4.4091 8.9196 122.8987 55.8554 33.5970 176.5090 119 R 4.4638 8.2708 120.4967 54.5586 31.9449 177.6825 120 G 3.2866 8.5214 112.2570 48.2688 0.0000 174.2293 121 P 4.2821 0.0000 0.0000 64.5316 31.3724 177.3945 122 R 4.3992 7.7776 115.6016 56.0210 30.1534 175.9123 123 T 5.3004 7.4532 108.0827 59.4400 71.2669 173.0161 124 H 4.6742 7.7823 115.4363 55.0847 30.2502 173.2563 125 Y 3.8917 8.7306 118.3640 60.0025 38.0677 176.9037 126 G 4.0971 8.9849 111.5370 45.6857 0.0000 174.1288 127 Q 4.1235 7.5783 121.2418 55.9585 29.7709 177.7840 128 K 3.7959 8.2894 120.8587 56.7343 32.4862 180.3084 129 A 3.9763 7.7701 120.5918 54.9338 18.3650 178.5904 130 I 4.4010 7.1774 106.1090 60.6595 37.2651 175.4146 131 L 4.3038 7.3003 123.0770 54.2041 42.4305 175.9272 132 F 5.3454 9.4411 122.3114 55.5613 43.6662 174.1133 133 L 5.2291 9.0501 120.2925 52.4818 44.6718 173.9906 134 P 5.2951 0.0000 0.0000 62.1642 32.5004 175.2136 135 L 4.9483 9.1859 125.5428 51.6431 44.3011 174.2938 136 P 4.6081 0.0000 0.0000 63.0714 31.7664 176.3927 137 V 3.8029 8.0670 122.4388 63.1532 31.0434 175.5376 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 1C H 8.44 4.80 0.00 3.09 3.46 0.00 5.66 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 8.87 4.61 0.00 3.22 3.19 0.00 5.64 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.60 5.10 0.00 3.14 3.35 0.00 5.71 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 1F H 8.96 4.60 0.00 3.34 3.41 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 1G F 8.43 4.86 0.00 2.91 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 N 8.47 4.61 0.00 2.95 2.78 0.00 0.00 6.90 6.74 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 3 L 8.14 4.71 0.00 1.49 1.42 0.65 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.63 0.00 2.18 2.05 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.87 0.00 5 P 0.00 4.33 0.00 2.16 2.07 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 6 G 7.86 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.00 4.63 0.00 2.65 2.65 0.00 0.00 5.98 7.55 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 8 Y 7.99 4.75 0.00 3.08 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 9 K 9.23 4.10 0.00 1.78 1.92 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.68 7.81 10 K 7.63 4.69 0.00 1.73 1.71 0.00 1.77 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 1.40 7.81 11 P 0.00 4.86 0.00 2.09 2.17 0.00 3.69 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 12 K 9.43 5.11 0.00 1.89 2.03 0.00 1.42 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.59 1.55 7.81 13 L 9.64 5.23 0.00 1.73 1.83 0.65 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.85 5.13 0.00 1.51 1.40 0.12 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.29 4.91 0.00 3.24 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 16 C 9.09 4.12 0.00 2.30 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.36 3.87 0.00 3.98 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 18 N 7.87 4.14 0.00 2.59 2.66 0.00 0.00 6.79 7.98 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 19 G 7.66 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 20 G 7.91 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 21 H 7.28 5.04 0.00 3.04 3.26 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 9.02 5.41 0.00 3.23 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 23 L 9.35 4.61 0.00 1.84 1.62 0.89 -0.14 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 24 R 9.44 5.13 0.00 2.00 2.08 0.00 3.14 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.89 0.00 25 I 8.54 4.95 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.07 0.98 0.00 0.00 26 L 9.18 4.12 0.00 1.65 1.53 0.92 0.80 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 27 P 0.00 4.09 0.00 2.02 2.14 0.00 3.49 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00 28 D 8.00 4.54 0.00 2.80 2.78 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 29 G 8.90 4.15 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 0.00 30 T 8.40 4.29 4.29 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 1.24 0.00 0.00 31 V 8.12 4.93 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 0.93 0.00 0.00 1.02 0.00 0.00 32 D 8.69 4.61 0.00 2.91 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 33 G 8.73 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 34 T 8.90 5.01 4.35 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 1.45 0.00 0.00 35 R 8.94 4.19 0.00 1.90 2.01 0.00 3.24 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 36 D 8.27 4.54 0.00 2.84 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 37 R 8.61 3.69 0.00 1.87 1.96 0.00 2.65 0.00 0.00 2.89 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 38 S 8.80 4.32 0.00 3.94 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 39 D 7.69 4.34 0.00 2.80 2.65 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 40 Q 8.51 4.31 0.00 1.87 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.21 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 41 H 9.46 4.82 0.00 3.29 3.43 0.00 5.76 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.19 4.51 1.92 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 1.26 1.20 1.06 0.00 0.00 43 Q 7.28 4.48 0.00 1.82 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 6.88 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 44 F 9.06 5.35 0.00 2.89 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 45 Q 9.35 4.76 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 46 L 8.63 5.28 0.00 1.80 1.62 0.96 0.99 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 47 S 8.67 4.53 0.00 3.88 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 0.00 48 A 8.23 4.59 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.95 3.93 0.00 1.85 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 2.34 2.35 0.00 50 S 5.81 4.64 0.00 3.99 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 51 V 8.20 3.80 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.05 0.00 0.00 52 G 9.20 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 0.00 0.00 0.00 53 E 8.25 5.16 0.00 2.06 1.72 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 2.22 2.29 0.00 54 V 8.95 4.88 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 0.81 0.00 0.00 1.17 0.00 0.00 55 Y 8.87 5.10 0.00 2.94 3.06 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 0.00 0.00 0.00 56 I 8.63 4.39 1.55 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.53 0.24 0.00 0.00 57 K 8.65 4.65 0.00 1.17 1.59 0.00 0.88 0.00 0.00 1.31 0.00 0.00 2.69 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.00 0.40 7.81 58 S 9.36 4.62 0.00 4.00 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 59 T 8.40 3.85 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 1.19 0.00 0.00 60 E 8.17 4.06 0.00 1.84 1.89 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 2.16 2.30 0.00 61 T 8.21 4.33 4.25 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 1.25 0.00 0.00 62 G 8.34 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 63 Q 7.84 4.50 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.73 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 64 Y 8.97 4.87 0.00 2.91 2.91 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 65 L 9.00 4.35 0.00 1.43 1.35 0.72 0.05 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 66 A 8.64 5.15 0.55 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 67 M 8.66 5.37 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.68 0.00 68 D 9.91 5.19 0.00 2.96 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 69 T 8.55 4.17 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 1.32 0.00 0.00 70 D 8.43 4.64 0.00 2.78 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 71 G 8.77 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 0.00 0.00 0.00 72 L 8.25 4.67 0.00 1.83 1.61 0.83 0.83 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 73 V 8.38 4.85 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 0.83 0.00 0.00 1.01 0.00 0.00 74 Y 9.05 4.95 0.00 3.03 2.98 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 75 G 8.85 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 0.00 0.00 0.00 0.00 76 S 9.07 5.07 0.00 3.71 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 77 Q 9.07 4.32 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 78 T 7.54 4.60 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 1.23 0.00 0.00 79 P 0.00 3.90 0.00 1.12 0.49 0.00 3.43 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.18 0.00 80 N 8.07 5.17 0.00 2.92 2.94 0.00 0.00 5.92 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 81 E 8.71 3.91 0.00 2.11 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 0.00 2.35 2.30 0.00 82 E 9.18 4.18 0.00 2.19 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 2.37 2.43 0.00 83 C 7.76 5.08 0.00 3.27 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 84 L 7.13 4.19 0.00 1.45 1.30 0.74 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.89 5.17 0.00 3.06 3.06 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 0.00 0.00 0.00 86 L 9.21 4.87 0.00 1.51 1.59 0.85 0.98 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 87 E 8.90 4.43 0.00 2.18 1.94 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 2.19 1.94 0.00 88 R 8.61 4.80 0.00 1.76 1.79 0.00 3.13 0.00 0.00 2.86 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 89 L 8.61 4.78 0.00 1.60 1.68 0.96 1.16 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 90 E 8.89 4.68 0.00 2.23 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 91 E 9.62 3.95 0.00 2.39 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 0.00 2.27 2.38 0.00 92 N 8.56 4.32 0.00 2.84 2.89 0.00 0.00 6.86 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 93 H 8.52 4.77 0.00 2.86 2.93 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.88 4.62 0.00 3.00 3.04 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 0.00 0.00 0.00 95 N 9.67 5.58 0.00 2.97 2.47 0.00 0.00 6.96 7.54 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 96 T 8.79 5.18 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 1.36 0.00 0.00 97 Y 8.65 5.05 0.00 2.67 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 98 I 8.67 4.75 1.68 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 -0.05 0.70 0.50 0.00 0.00 99 S 8.71 3.66 0.00 3.93 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 0.00 100 K 8.87 3.93 0.00 1.64 1.67 0.00 1.69 0.00 0.00 1.44 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.28 7.81 101 K 7.90 3.71 0.00 1.73 1.59 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.00 1.29 7.81 102 H 7.97 4.70 0.00 3.07 2.36 0.00 5.69 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 0.00 103 A 7.74 3.93 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 0.00 104 E 7.86 3.74 0.00 1.71 1.79 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 2.04 2.10 0.00 105 K 7.77 3.90 0.00 0.79 1.02 0.00 0.61 0.00 0.00 0.99 0.00 0.00 2.41 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.00 0.77 7.81 106 N 7.44 3.85 0.00 3.05 3.10 0.00 0.00 6.90 7.77 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 0.00 107 W 7.64 5.02 0.00 3.24 3.04 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 0.00 0.00 0.00 108 F 9.39 5.44 0.00 2.80 3.04 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 0.00 0.00 0.00 109 L 8.93 4.48 0.00 1.65 1.57 0.81 0.11 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 0.00 110 G 8.51 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 0.00 0.00 0.00 111 I 7.96 5.11 1.75 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.82 0.82 0.00 0.00 112 K 9.00 4.19 0.00 1.95 1.67 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.52 7.81 113 K 8.52 4.16 0.00 1.71 1.86 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.38 7.81 114 N 8.11 4.61 0.00 2.79 2.89 0.00 0.00 6.14 7.00 0.00 0.00 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 G 8.59 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 0.00 116 S 7.94 4.96 0.00 3.90 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 0.00 117 V 8.32 4.22 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 0.79 0.00 0.00 0.98 0.00 0.00 118 K 8.92 4.41 0.00 1.70 1.74 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.37 7.81 119 R 8.27 4.46 0.00 1.68 1.59 0.00 3.05 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 120 G 8.52 3.29 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 0.00 121 P 0.00 4.28 0.00 1.96 2.18 0.00 2.89 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 122 R 7.78 4.40 0.00 1.84 1.92 0.00 3.27 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 123 T 7.45 5.30 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 124 H 7.78 4.67 0.00 3.47 3.54 0.00 5.67 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.73 3.89 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 0.00 126 G 8.98 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 0.00 127 Q 7.58 4.12 0.00 1.81 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.74 0.00 0.00 0.00 0.00 0.00 2.15 1.92 0.00 128 K 8.29 3.80 0.00 1.68 1.81 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.00 7.81 129 A 7.77 3.98 1.23 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 0.00 130 I 7.18 4.40 1.79 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.17 0.65 0.00 0.00 131 L 7.30 4.30 0.00 1.12 0.57 0.27 0.60 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 0.00 132 F 9.44 5.35 0.00 3.36 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 0.00 133 L 9.05 5.23 0.00 1.94 1.73 1.17 0.86 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 0.00 134 P 0.00 5.30 0.00 2.18 2.23 0.00 3.82 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 135 L 9.19 4.95 0.00 1.68 1.67 1.10 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.61 0.00 2.08 2.09 0.00 3.80 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 137 V 8.07 3.80 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 0.66 0.00 0.00 0.86 0.00 0.00