NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6458 8.3649 120.3191 53.6577 40.7871 174.3842 3 N 4.8511 8.2718 113.4771 51.7659 39.0921 176.4454 4 S 4.2718 8.9931 119.6987 61.0254 64.0283 175.3861 5 R 4.1335 8.0137 121.1104 58.6425 29.8725 178.1868 6 Y 4.5340 8.1732 120.8275 60.5665 39.0068 177.7504 7 T 3.5511 8.2081 110.8695 64.9169 68.8112 175.8956 8 H 4.3508 8.4182 121.2529 58.7876 29.7668 176.9664 9 F 4.0749 8.4035 122.9609 61.4088 39.2570 177.0560 10 L 3.8851 8.1379 118.6656 58.1427 41.1119 179.7549 11 T 3.8586 7.5449 114.8787 66.4959 68.4811 176.1781 12 Q 4.0300 7.5208 117.9364 57.1841 29.1932 176.1369 13 H 4.7140 7.8110 114.2851 53.6355 31.5734 172.0804 14 Y 5.2054 8.0810 119.9745 55.9201 41.5024 174.9595 15 D 3.8796 8.9725 126.3350 52.6853 43.3021 175.0425 16 A 3.9322 7.9585 126.4732 54.0157 18.8240 177.1074 17 K 4.9834 7.2149 117.9249 53.2884 32.8045 174.7001 18 P 4.3656 0.0000 0.0000 62.1216 32.1564 176.3748 19 Q 4.1448 8.3016 117.7690 57.4748 29.5747 175.8122 20 G 4.1153 7.5746 107.9669 42.8352 0.0000 173.2693 21 R 4.0124 8.1101 121.5004 55.1847 30.9763 175.5232 22 D 4.7949 7.6848 117.6908 51.8533 42.1032 176.5792 23 D 4.4701 8.8878 118.1903 58.1284 40.6009 179.6665 24 R 3.9829 8.0427 117.5494 59.2287 30.0218 178.2825 25 Y 4.0574 8.1848 119.3628 60.8981 38.7851 177.3808 26 C 3.7720 8.2985 116.7809 60.1929 39.4698 175.8960 27 E 4.1228 8.2194 119.8293 59.4488 29.0163 179.5656 28 S 4.0084 8.0391 113.0286 61.5114 62.5836 176.1325 29 I 3.4813 7.6020 121.6537 64.0064 37.5259 177.7138 30 M 4.0869 8.2076 120.1883 58.0596 31.6028 179.0430 31 R 3.9204 7.6323 117.4205 59.4636 30.1617 179.1205 32 R 3.9451 7.6199 116.2875 59.0425 30.0180 178.2661 33 R 4.4808 7.8742 115.6679 55.1817 30.2083 176.5091 34 G 4.0277 7.9207 106.0510 46.8533 0.0000 174.4707 35 L 4.7225 7.9524 117.8857 54.7204 42.1391 177.8971 36 T 4.5847 8.0300 105.6983 61.2313 69.3755 174.6701 37 S 4.5052 7.5979 117.0270 56.6498 63.2663 171.5861 38 P 3.6473 0.0000 0.0000 62.2904 32.7993 176.8487 39 C 4.4874 9.4678 118.3986 57.0361 40.3059 174.1060 40 K 4.1472 8.5549 126.3221 56.4083 32.1316 176.4786 41 D 4.5965 8.8777 126.7399 57.0448 42.4515 175.7445 42 I 5.1679 7.5299 116.6560 59.5233 41.3409 173.8156 43 N 5.1107 9.0483 126.8752 52.5152 42.4076 172.8318 44 T 4.8802 9.0598 122.4729 61.6996 71.7632 172.9752 45 F 4.8844 8.8463 124.3102 55.7991 41.8124 174.6533 46 I 4.6225 8.9663 124.3374 60.3320 39.1492 174.8865 47 H 5.8053 8.2001 122.9087 53.5750 31.4055 172.6200 48 G 3.9905 8.5648 103.6133 44.4597 0.0000 172.3198 49 N 4.9112 8.8912 115.8698 52.5529 39.6764 176.4098 50 K 3.5995 8.8687 123.4239 59.2630 32.2800 179.1515 51 R 3.9876 8.1035 116.2033 59.5269 28.9137 178.9288 52 S 4.2521 7.7643 114.9793 61.4730 63.1371 176.3979 53 I 3.8758 7.8318 122.1348 64.1879 36.9565 178.1641 54 K 3.8313 8.1991 120.3305 59.4299 31.9392 178.5661 55 A 4.8458 8.0376 122.1661 54.4754 17.6546 179.4618 56 I 3.9406 7.7493 118.3140 64.2381 36.8907 176.8129 57 C 4.5743 8.0575 115.1708 57.0293 40.8044 172.8413 58 E 4.5307 8.0108 121.5516 54.2989 31.6941 176.1933 59 N 4.3777 8.5051 117.2011 56.5594 39.0754 176.5175 60 K 4.3076 7.9864 114.0484 58.1317 32.6463 176.7255 61 N 4.6932 8.1067 117.5924 52.4621 40.4911 173.6201 62 G 4.5615 7.9490 101.1402 45.7171 0.0000 173.0977 63 N 5.3153 8.9847 119.0520 50.1942 42.7599 172.5525 64 P 4.7193 0.0000 0.0000 63.3886 32.7447 175.3951 65 H 4.7479 9.1655 121.4343 55.2117 33.3501 173.2419 66 R 3.3430 8.5106 124.8741 57.3944 29.4518 178.1683 67 E 4.3971 8.7953 127.9311 56.2017 29.8659 174.8909 68 N 4.1800 8.7318 121.5331 53.6552 36.4352 173.5521 69 L 4.9663 7.6252 116.1730 53.9347 45.8186 175.4141 70 R 4.9820 9.2287 120.1776 54.6185 33.4418 173.5829 71 I 4.9723 8.4841 126.4409 58.8633 40.4364 174.9977 72 S 5.3529 8.8286 124.6049 58.2703 63.2422 174.5707 73 K 4.2986 8.6350 121.2439 58.8500 32.7474 177.8814 74 S 4.4221 8.3227 113.9923 57.2337 64.4079 173.4098 75 S 4.6112 7.8281 117.2449 57.4766 64.3477 173.6872 76 F 5.0609 8.5687 121.0772 55.6191 43.2249 174.5135 77 Q 5.0144 9.0516 120.5318 56.4713 30.1203 175.5493 78 V 4.9378 9.1957 115.4851 60.4322 37.3059 174.3154 79 T 5.0228 8.6947 117.8063 62.6328 72.5182 173.2330 80 T 4.7403 9.0846 124.5743 62.2940 70.7973 173.3292 81 C 5.1652 9.3008 124.8584 55.3914 42.0470 172.6445 82 K 5.0359 8.9633 127.1234 54.2757 33.4485 175.4283 83 L 4.0751 9.4839 131.0640 55.7817 42.7912 175.6504 84 H 4.7132 9.2965 125.4538 55.1388 32.2521 172.2934 85 G 3.7594 8.8943 111.1283 44.1399 0.0000 172.5920 86 G 3.6544 8.0706 108.2675 45.7855 0.0000 173.3429 87 S 3.8311 7.1287 113.9994 55.6428 64.0179 172.9201 88 P 4.3674 0.0000 0.0000 62.4100 31.6399 175.3813 89 W 4.8903 7.4169 117.7359 53.5558 31.8754 173.7897 90 P 4.4697 0.0000 0.0000 62.3312 31.3439 174.7252 91 P 4.4163 0.0000 0.0000 62.7954 32.0785 176.3156 92 C 4.4815 8.6001 118.8215 55.5263 39.7284 172.6219 93 Q 4.7293 8.1132 126.2141 54.8263 30.4309 173.7441 94 Y 5.4157 8.9603 123.1968 56.3331 42.0220 174.8816 95 R 4.8975 9.1799 121.4146 54.5527 32.6364 174.9767 96 A 5.1973 9.0738 126.0434 50.9133 21.1665 176.5235 97 T 4.6223 8.7110 116.9673 61.7761 72.1188 173.3739 98 A 4.8484 8.8361 128.5198 51.6094 20.3969 176.0317 99 G 4.2549 9.3269 106.8339 45.6186 0.0000 171.8870 100 F 5.5883 8.5735 122.3372 57.8725 41.3292 172.9419 101 R 4.3685 8.3638 122.2723 55.2045 33.1323 173.7361 102 N 5.2662 8.5644 116.7984 52.3971 38.5358 174.5399 103 V 4.6317 8.9942 112.3321 59.5501 36.0819 174.7938 104 V 4.7676 8.1573 121.6979 61.4385 34.0627 174.8700 105 V 5.1986 9.3534 120.0156 59.8776 36.7814 173.7612 106 A 5.0230 8.8175 122.6507 50.5471 21.4817 175.0010 107 C 5.3283 8.6516 118.2370 55.3578 44.2256 173.3863 108 E 4.5443 9.1116 121.8680 56.2786 32.3768 174.9983 109 N 4.1813 9.8730 123.3759 54.4222 36.2523 175.2622 110 G 3.8846 8.5112 103.6194 45.4224 0.0000 173.9944 111 L 4.4599 7.5820 119.5172 51.3496 44.7152 174.2237 112 P 4.4083 0.0000 0.0000 63.1753 31.4878 176.7315 113 V 4.6422 8.2359 114.5810 60.6592 33.8247 174.8414 114 H 4.8388 7.6976 118.5319 55.1994 33.2243 171.8600 115 L 4.9408 8.4038 127.4155 53.2401 43.6792 175.2461 116 D 4.5505 8.9377 127.2606 53.6432 41.0444 176.8511 117 Q 4.0228 8.7794 126.6743 58.2278 28.9244 178.2248 118 S 4.1686 8.4539 116.3277 61.5714 62.5193 176.4883 119 I 3.7177 7.0156 114.5703 62.4493 37.3855 176.4395 120 F 4.7747 7.7555 117.7765 57.0379 40.2273 175.5507 121 R 3.9964 7.5870 121.8570 56.6055 29.8772 176.2597 122 R 4.4835 8.4972 123.6955 54.6539 33.9337 173.3154 123 P 4.4407 0.0000 0.0000 63.1687 31.3172 176.0558 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 2 D 8.36 4.65 0.00 2.83 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 N 8.27 4.85 0.00 2.98 3.05 0.00 0.00 6.57 6.68 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 4 S 8.99 4.27 0.00 4.07 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.01 4.13 0.00 1.95 2.11 0.00 3.16 0.00 0.00 3.31 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.73 0.00 6 Y 8.17 4.53 0.00 2.98 3.18 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 7 T 8.21 3.55 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 1.33 0.00 0.00 8 H 8.42 4.35 0.00 3.38 3.56 0.00 5.61 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 9 F 8.40 4.07 0.00 3.25 3.26 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 10 L 8.14 3.89 0.00 1.78 1.72 0.58 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.54 3.86 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 1.20 0.00 0.00 12 Q 7.52 4.03 0.00 1.31 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.96 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 13 H 7.81 4.71 0.00 1.90 2.67 0.00 5.56 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.08 5.21 0.00 2.80 2.92 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 15 D 8.97 3.88 0.00 2.62 2.50 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 16 A 7.96 3.93 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.21 4.98 0.00 1.66 1.67 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.35 7.81 18 P 0.00 4.37 0.00 1.44 1.34 0.00 3.38 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 2.15 0.00 19 Q 8.30 4.14 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 20 G 7.57 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.11 4.01 0.00 1.60 1.72 0.00 2.84 0.00 0.00 3.06 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.99 0.00 22 D 7.68 4.79 0.00 2.87 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 23 D 8.89 4.47 0.00 2.81 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 24 R 8.04 3.98 0.00 1.89 2.00 0.00 3.14 0.00 0.00 3.50 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 25 Y 8.18 4.06 0.00 3.09 3.19 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 0.00 0.00 0.00 26 C 8.30 3.77 0.00 3.25 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 27 E 8.22 4.12 0.00 2.07 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 2.70 2.53 0.00 28 S 8.04 4.01 0.00 3.85 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 29 I 7.60 3.48 0.94 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.77 -0.31 0.00 0.00 30 M 8.21 4.09 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 2.48 0.00 31 R 7.63 3.92 0.00 2.04 1.97 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.97 0.00 32 R 7.62 3.95 0.00 1.70 1.95 0.00 3.10 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 33 R 7.87 4.48 0.00 1.83 2.06 0.00 3.62 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.02 0.00 34 G 7.92 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.95 4.72 0.00 1.90 1.62 0.94 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.03 4.58 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 1.35 0.00 0.00 37 S 7.60 4.51 0.00 4.35 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 38 P 0.00 3.65 0.00 1.37 0.49 0.00 3.64 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 39 C 9.47 4.49 0.00 2.72 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.55 4.15 0.00 1.78 1.71 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.35 7.81 41 D 8.88 4.60 0.00 2.77 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 42 I 7.53 5.17 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.99 0.94 0.00 0.00 43 N 9.05 5.11 0.00 2.67 2.28 0.00 0.00 6.71 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 44 T 9.06 4.88 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 0.36 0.00 0.00 45 F 8.85 4.88 0.00 2.93 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 46 I 8.97 4.62 1.97 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.78 0.73 0.00 0.00 47 H 8.20 5.81 0.00 3.12 3.36 0.00 5.59 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 48 G 8.56 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 N 8.89 4.91 0.00 2.88 2.84 0.00 0.00 6.50 7.21 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 50 K 8.87 3.60 0.00 1.57 1.78 0.00 1.77 0.00 0.00 1.93 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.05 7.81 51 R 8.10 3.99 0.00 2.10 2.22 0.00 3.06 0.00 0.00 3.38 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 52 S 7.76 4.25 0.00 4.31 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 0.00 53 I 7.83 3.88 1.93 0.00 0.00 0.80 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 0.61 0.94 0.00 0.00 54 K 8.20 3.83 0.00 1.80 1.92 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.32 7.81 55 A 8.04 4.85 1.49 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 0.00 0.00 56 I 7.75 3.94 1.95 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 1.84 1.46 0.91 0.00 0.00 57 C 8.06 4.57 0.00 2.95 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 58 E 8.01 4.53 0.00 1.98 1.86 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 2.21 2.18 0.00 59 N 8.51 4.38 0.00 2.71 2.79 0.00 0.00 6.65 6.04 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 60 K 7.99 4.31 0.00 1.90 1.91 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.43 7.81 61 N 8.11 4.69 0.00 2.80 2.81 0.00 0.00 6.84 9.23 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 62 G 7.95 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.98 5.32 0.00 2.63 2.68 0.00 0.00 7.13 8.88 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 64 P 0.00 4.72 0.00 1.93 1.98 0.00 3.65 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 2.02 2.08 0.00 65 H 9.17 4.75 0.00 3.11 3.07 0.00 5.73 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.51 3.34 0.00 1.86 1.28 0.00 3.31 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.33 0.00 67 E 8.80 4.40 0.00 2.04 1.95 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 2.17 2.26 0.00 68 N 8.73 4.18 0.00 2.95 2.98 0.00 0.00 6.12 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 69 L 7.63 4.97 0.00 1.91 1.65 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 70 R 9.23 4.98 0.00 1.80 1.69 0.00 3.07 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 71 I 8.48 4.97 1.66 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.68 0.96 0.00 0.00 72 S 8.83 5.35 0.00 4.14 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 73 K 8.64 4.30 0.00 1.83 1.88 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.43 7.81 74 S 8.32 4.42 0.00 3.76 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 75 S 7.83 4.61 0.00 2.94 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 76 F 8.57 5.06 0.00 2.93 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 9.05 5.01 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.65 2.40 0.00 78 V 9.20 4.94 1.84 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 0.79 0.00 0.00 0.87 0.00 0.00 79 T 8.69 5.02 4.51 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 1.38 0.00 0.00 80 T 9.08 4.74 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 1.23 0.00 0.00 81 C 9.30 5.17 0.00 2.63 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.96 5.04 0.00 1.90 1.77 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.43 7.81 83 L 9.48 4.08 0.00 1.85 1.77 0.40 0.79 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 84 H 9.30 4.71 0.00 3.09 3.08 0.00 5.78 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 85 G 8.89 3.76 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 0.00 0.00 0.00 86 G 8.07 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 87 S 7.13 3.83 0.00 3.89 3.76 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 88 P 0.00 4.37 0.00 1.56 1.73 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 89 W 7.42 4.89 0.00 3.28 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 90 P 0.00 4.47 0.00 2.13 2.07 0.00 4.01 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.40 0.00 91 P 0.00 4.42 0.00 2.17 2.06 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 92 C 8.60 4.48 0.00 3.00 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 93 Q 8.11 4.73 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 94 Y 8.96 5.42 0.00 2.89 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 95 R 9.18 4.90 0.00 1.78 1.85 0.00 3.09 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 96 A 9.07 5.20 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 97 T 8.71 4.62 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 1.26 0.00 0.00 98 A 8.84 4.85 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 9.33 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 0.00 0.00 0.00 0.00 100 F 8.57 5.59 0.00 2.95 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 0.00 101 R 8.36 4.37 0.00 1.89 2.01 0.00 2.86 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 102 N 8.56 5.27 0.00 2.90 2.93 0.00 0.00 6.19 7.68 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 0.00 103 V 8.99 4.63 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 0.97 0.00 0.00 0.81 0.00 0.00 104 V 8.16 4.77 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 1.10 0.00 0.00 0.68 0.00 0.00 105 V 9.35 5.20 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 0.65 0.00 0.00 0.84 0.00 0.00 106 A 8.82 5.02 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 0.00 107 C 8.65 5.33 0.00 2.78 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 0.00 108 E 9.11 4.54 0.00 1.89 1.70 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 2.19 2.26 0.00 109 N 9.87 4.18 0.00 2.82 2.81 0.00 0.00 7.17 7.65 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 0.00 110 G 8.51 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 0.00 111 L 7.58 4.46 0.00 1.34 0.53 0.68 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.41 0.00 0.49 1.71 0.00 3.22 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.91 0.00 113 V 8.24 4.64 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 0.74 0.00 0.00 1.04 0.00 0.00 114 H 7.70 4.84 0.00 3.24 3.11 0.00 5.82 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 0.00 115 L 8.40 4.94 0.00 1.38 1.21 0.84 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.94 4.55 0.00 2.80 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 0.00 117 Q 8.78 4.02 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.61 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 118 S 8.45 4.17 0.00 4.03 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 0.00 119 I 7.02 3.72 1.53 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 -0.36 0.69 0.00 0.00 120 F 7.76 4.77 0.00 3.13 3.05 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 0.00 121 R 7.59 4.00 0.00 2.04 1.98 0.00 3.32 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 1.66 1.64 0.00 122 R 8.50 4.48 0.00 1.85 1.83 0.00 3.36 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.85 0.00 123 P 0.00 4.44 0.00 2.05 2.02 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00