NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 M 4.4376 8.1627 120.3210 55.0524 33.0811 177.2825 11 L 3.7070 8.5912 123.0875 58.6044 42.8054 177.7223 12 K 3.8288 9.1207 119.2989 59.7510 32.8607 178.1116 13 E 4.0536 7.4437 115.8426 58.6950 29.4103 178.2614 14 T 3.9645 7.8363 108.4708 62.7988 69.4369 175.0148 15 I 3.7068 7.2059 123.6081 61.0723 37.1313 175.9133 16 R 4.2180 7.1527 124.9262 55.0902 31.6046 177.4186 17 S 4.7412 8.0017 110.0095 57.9934 63.5118 176.3121 18 G 3.5897 9.0534 110.9136 46.5750 0.0000 174.7488 19 D 4.9542 8.8362 126.8939 53.6787 44.2777 175.6404 20 W 4.4479 8.1834 135.0000 58.9670 31.1954 175.6085 *23 E 3.8683 7.9263 117.9899 55.4361 29.0294 174.5665 24 K 4.0584 8.5620 126.1431 57.5092 32.3485 176.4418 25 H 4.2214 8.1860 119.9697 56.0588 31.1151 174.4758 26 V 3.7023 7.5538 118.6491 61.3427 31.0475 173.7740 27 P 4.6561 0.0000 0.0000 62.6245 32.0640 176.0215 28 V 4.1579 9.1833 125.2178 62.1275 33.1630 174.4886 29 I 5.1263 8.4378 127.6064 59.6794 39.4956 174.7444 30 E 5.0190 9.4314 126.3199 54.7487 33.5058 174.4105 31 Y 5.4698 8.3107 119.8659 55.6786 41.8117 173.9736 32 E 4.6792 9.4285 119.5722 54.5234 33.5247 174.8099 33 R 4.9397 8.6235 123.0738 54.7322 33.0594 175.2500 34 E 4.5033 9.0746 126.5717 54.7906 31.2959 176.4177 35 G 4.0324 8.0494 118.2739 46.5797 0.0000 174.4236 36 D 4.6127 8.6048 125.8201 54.6267 41.2708 175.1760 37 L 4.3824 7.6940 122.6331 54.6157 43.2363 175.6237 38 V 4.4944 8.4204 127.3650 60.8417 34.0187 174.1161 39 K 4.2626 9.1712 130.4881 55.1568 33.3559 175.0910 40 V 4.9098 8.5901 128.6918 61.0355 34.3376 173.5872 41 E 5.2293 9.7351 129.9758 54.6532 31.6834 174.7871 42 V 5.2215 8.6890 120.3938 60.0192 35.1051 174.8976 43 S 5.0999 8.7453 117.1213 57.6318 66.9834 173.4440 44 V 4.3324 7.8700 120.0487 61.0400 33.8419 175.5513 45 G 3.8700 8.4816 117.9441 46.1926 0.0000 174.7122 46 K 3.9509 7.9831 120.1777 58.4803 32.2643 176.5435 47 E 4.1368 7.3897 118.2471 57.4637 29.7879 177.0175 48 I 4.0752 7.1850 126.4463 58.8151 36.4001 172.4720 49 P 4.7444 0.0000 0.0000 62.4487 31.7772 175.9570 50 H 4.4377 8.4383 122.1404 54.3193 30.8613 172.9754 51 P 4.3391 0.0000 0.0000 63.3346 31.6703 176.6210 52 N 5.0271 8.1529 118.3941 52.2985 38.2745 172.9528 53 T 4.9951 9.2306 113.2856 58.3155 72.5951 174.1349 54 P 4.6426 0.0000 0.0000 65.4682 31.4122 177.8678 55 E 4.2354 7.6239 116.9769 57.9563 30.0902 176.1915 56 H 4.9657 8.2628 118.7953 54.9482 32.4673 171.3824 57 H 4.9817 8.7801 120.8163 55.2103 32.3046 172.5887 58 I 4.5573 8.3115 119.8439 60.4269 37.5952 175.8776 59 A 4.7557 9.0635 129.8060 54.2234 20.3365 176.6185 60 W 5.2444 7.5096 110.1591 56.1526 32.0031 173.5496 61 I 5.4525 8.9869 119.5735 60.1164 41.4429 174.2832 62 E 5.1816 9.7635 125.6381 54.4399 32.9925 174.6102 63 L 5.1529 8.6128 125.8281 53.6126 44.4038 174.7064 64 Y 5.1840 9.5258 124.0566 56.1741 41.6494 174.5066 65 F 5.2452 9.3255 124.1198 56.8431 42.7242 173.1438 66 H 4.8186 8.9124 127.5050 53.2863 31.0883 171.3357 67 P 4.3759 0.0000 0.0000 62.2700 31.7556 177.2233 68 E 3.8020 8.8276 121.3428 59.1998 29.3967 178.1596 69 G 4.0254 8.0190 105.6830 44.6901 0.0000 172.9390 70 G 4.1248 7.9123 108.4177 43.3423 0.0000 174.0003 71 Q 3.9817 8.3584 122.5632 56.7565 29.5667 175.7080 72 F 5.0555 7.5207 115.1249 54.6943 42.1807 172.5488 73 P 4.6600 0.0000 0.0000 62.6193 32.5989 175.2228 74 I 4.4443 8.9256 124.6266 59.3500 39.3939 174.6060 75 L 3.7225 8.5036 129.3941 55.1981 41.7256 176.6730 76 V 3.5510 8.4908 128.1241 65.4824 31.9420 175.9815 77 G 4.0446 7.0586 104.7736 45.4578 0.0000 171.3823 78 R 5.4052 8.4945 119.3830 54.6364 33.6574 174.4404 79 V 4.5487 8.9897 123.6394 60.1247 35.0093 173.6647 80 E 4.8218 8.6702 123.0976 54.7055 31.6944 175.8913 81 F 4.9166 8.8367 124.4511 56.4072 38.7410 175.8870 82 T 4.2488 8.5561 113.1515 61.9968 69.8300 174.6928 83 N 4.9926 7.7375 119.8314 52.4131 41.7312 173.8211 84 H 4.8187 8.6411 118.4880 55.5224 31.3307 173.6320 85 S 4.3227 8.0952 114.5527 58.3242 63.9066 174.4966 86 D 4.4802 8.3137 128.8149 52.8750 43.4809 172.9169 87 P 4.3598 0.0000 0.0000 62.6787 31.9656 175.7691 88 L 4.5544 8.0218 121.3351 53.3905 43.1622 175.6551 89 T 4.0989 8.4142 124.1404 63.2596 68.7982 174.3507 90 E 4.0188 8.7042 128.8245 54.5576 30.6828 176.0798 91 P 2.9700 0.0000 0.0000 60.9712 29.4761 174.8600 92 R 5.1303 6.6146 119.3562 55.8089 33.8027 174.0595 93 A 4.7948 9.2675 126.2654 50.8342 23.5190 174.8048 94 V 4.8007 8.1462 118.3964 61.2179 33.9888 174.8853 95 F 5.0922 9.6464 126.8572 55.9384 42.5324 174.6006 96 F 5.4298 8.9979 118.3089 56.0950 42.4541 174.2325 97 F 5.1656 8.9645 117.7970 55.4162 41.6771 173.2685 98 K 5.0122 8.4465 119.4426 55.2497 34.1825 175.8029 99 T 4.2179 8.3147 114.5641 61.9676 71.1080 173.6198 100 S 4.6509 9.0650 122.0119 58.5234 63.0181 173.9856 101 K 4.4438 7.5676 119.3869 56.2802 32.9644 175.5627 102 K 4.8859 9.3731 118.3281 53.9485 36.4048 176.6564 103 G 4.1667 7.0485 105.9441 46.5127 0.0000 171.1729 104 K 4.8993 8.0312 123.7829 54.4866 35.4803 175.6686 105 L 5.1927 8.6191 126.1501 53.1923 44.4141 175.0738 106 Y 5.6224 9.0420 120.7992 56.1816 41.8998 174.4731 107 A 5.3707 8.9826 123.2564 50.1544 22.5714 174.7677 108 L 5.0603 9.5708 125.0452 53.5199 44.6904 175.3234 109 S 5.2248 9.0562 121.5695 56.7541 66.3147 172.4109 110 Y 4.8249 7.6764 122.0182 55.8619 41.0589 173.5226 111 C 4.9392 8.2476 127.3723 57.3152 33.4528 174.3890 112 N 4.3538 8.6489 123.1427 54.6075 37.0868 175.5532 113 I 4.3509 7.3817 109.3993 60.6682 38.8705 175.3305 114 H 4.6171 7.7132 116.6016 54.9678 30.2043 175.6332 115 G 3.7663 7.2918 108.2050 45.4812 0.0000 172.9699 116 L 5.0053 7.9953 119.1324 54.1932 43.6502 176.1971 117 W 5.4782 9.1596 121.1239 55.1679 33.8638 173.8296 118 E 5.7335 8.8344 119.4697 54.5548 33.0490 173.2926 119 N 4.9792 8.6359 116.9695 53.4440 42.4854 172.2619 120 E 5.5354 8.7100 118.4924 55.3595 32.7422 174.7285 121 V 4.6469 8.5396 119.6280 60.3217 35.3018 173.8758 122 Q 4.4059 8.7931 122.6557 55.9727 29.7286 175.8556 123 L 3.9166 9.1697 127.2890 53.2977 42.3935 176.4194 124 E 4.2085 8.8481 124.5478 56.4276 29.3958 177.2005 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 10 M 8.16 4.44 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 11 L 8.59 3.71 0.00 1.77 1.63 0.92 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 12 K 9.12 3.83 0.00 1.80 1.83 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.46 7.81 13 E 7.44 4.05 0.00 1.75 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 14 T 7.84 3.96 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 1.18 0.00 0.00 15 I 7.21 3.71 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.62 0.87 0.00 0.00 16 R 7.15 4.22 0.00 0.67 0.72 0.00 2.21 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.02 0.00 17 S 8.00 4.74 0.00 4.04 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 18 G 9.05 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.84 4.95 0.00 2.75 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 20 W 8.18 4.45 0.00 3.11 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 *23 E 7.93 3.87 0.00 1.99 1.90 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 2.36 2.17 0.00 24 K 8.56 4.06 0.00 1.79 1.68 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.37 7.81 25 H 8.19 4.22 0.00 1.40 1.31 0.00 5.92 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 26 V 7.55 3.70 2.21 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 0.74 0.00 0.00 1.05 0.00 0.00 27 P 0.00 4.66 0.00 2.22 2.21 0.00 3.93 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 28 V 9.18 4.16 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 0.97 0.00 0.00 0.95 0.00 0.00 29 I 8.44 5.13 1.99 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.91 1.04 0.00 0.00 30 E 9.43 5.02 0.00 1.89 1.77 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 2.23 2.26 0.00 31 Y 8.31 5.47 0.00 2.95 2.85 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 32 E 9.43 4.68 0.00 1.81 1.81 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 2.13 2.13 0.00 33 R 8.62 4.94 0.00 1.94 1.84 0.00 3.21 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 34 E 9.07 4.50 0.00 1.96 1.75 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 2.19 2.23 0.00 35 G 8.05 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 36 D 8.60 4.61 0.00 2.71 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 37 L 7.69 4.38 0.00 1.76 1.74 1.06 1.16 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 38 V 8.42 4.49 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 0.00 0.00 0.62 0.00 0.00 0.46 0.00 0.00 39 K 9.17 4.26 0.00 1.76 1.68 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.15 0.63 7.81 40 V 8.59 4.91 2.27 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 1.03 0.00 0.00 1.08 0.00 0.00 41 E 9.74 5.23 0.00 2.02 1.81 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 2.33 2.27 0.00 42 V 8.69 5.22 2.28 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 0.87 0.00 0.00 1.29 0.00 0.00 43 S 8.75 5.10 0.00 3.84 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 44 V 7.87 4.33 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 0.64 0.00 0.00 0.91 0.00 0.00 45 G 8.48 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 46 K 7.98 3.95 0.00 1.70 1.83 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.42 7.81 47 E 7.39 4.14 0.00 1.97 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 0.00 2.27 2.31 0.00 48 I 7.18 4.08 1.82 0.00 0.00 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 1.38 1.39 0.86 0.00 0.00 49 P 0.00 4.74 0.00 1.99 1.99 0.00 3.68 0.00 0.00 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 50 H 8.44 4.44 0.00 3.09 3.04 0.00 5.75 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.34 0.00 1.63 1.87 0.00 2.58 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.93 0.00 52 N 8.15 5.03 0.00 2.61 2.67 0.00 0.00 6.78 7.70 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 53 T 9.23 5.00 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 1.23 0.00 0.00 54 P 0.00 4.64 0.00 2.12 2.23 0.00 3.71 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 2.07 2.18 0.00 55 E 7.62 4.24 0.00 2.13 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 2.34 2.31 0.00 56 H 8.26 4.97 0.00 3.09 3.07 0.00 5.64 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 57 H 8.78 4.98 0.00 3.04 3.35 0.00 5.30 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.31 4.56 1.82 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.61 1.00 0.00 0.00 59 A 9.06 4.76 1.64 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 60 W 7.51 5.24 0.00 3.49 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 61 I 8.99 5.45 2.24 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.30 1.16 0.00 0.00 62 E 9.76 5.18 0.00 2.26 1.65 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 2.23 2.80 0.00 63 L 8.61 5.15 0.00 1.39 0.85 0.99 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 9.53 5.18 0.00 3.15 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 9.33 5.25 0.00 2.68 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 66 H 8.91 4.82 0.00 3.29 3.00 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 67 P 0.00 4.38 0.00 2.05 1.91 0.00 3.63 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.81 0.00 68 E 8.83 3.80 0.00 2.08 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 2.46 2.27 0.00 69 G 8.02 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 70 G 7.91 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 71 Q 8.36 3.98 0.00 1.68 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 1.53 2.06 0.00 72 F 7.52 5.06 0.00 3.04 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 73 P 0.00 4.66 0.00 2.22 2.14 0.00 3.85 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.89 0.00 74 I 8.93 4.44 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.57 0.91 0.00 0.00 75 L 8.50 3.72 0.00 1.36 1.42 -0.18 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.49 3.55 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.39 0.00 0.00 77 G 7.06 4.04 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 0.00 0.00 0.00 78 R 8.49 5.41 0.00 1.64 1.69 0.00 3.00 0.00 0.00 3.05 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 79 V 8.99 4.55 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 0.80 0.00 0.00 0.71 0.00 0.00 80 E 8.67 4.82 0.00 1.80 1.90 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 2.24 2.25 0.00 81 F 8.84 4.92 0.00 3.17 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 82 T 8.56 4.25 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 1.28 0.00 0.00 83 N 7.74 4.99 0.00 2.79 2.73 0.00 0.00 6.81 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 84 H 8.64 4.82 0.00 3.16 3.17 0.00 5.72 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.10 4.32 0.00 3.85 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 86 D 8.31 4.48 0.00 2.57 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.36 0.00 2.22 2.05 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 88 L 8.02 4.55 0.00 1.63 1.62 1.06 0.95 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 89 T 8.41 4.10 4.34 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 1.46 0.00 0.00 90 E 8.70 4.02 0.00 1.91 1.76 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 2.14 2.20 0.00 91 P 0.00 2.97 0.00 1.91 1.79 0.00 3.54 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 1.94 1.75 0.00 92 R 6.61 5.13 0.00 1.69 1.69 0.00 3.48 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.80 0.00 93 A 9.27 4.79 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 94 V 8.15 4.80 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 0.49 0.00 0.00 0.93 0.00 0.00 95 F 9.65 5.09 0.00 2.97 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 96 F 9.00 5.43 0.00 2.86 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 F 8.96 5.17 0.00 3.10 3.13 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 98 K 8.45 5.01 0.00 1.72 1.80 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.68 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.43 7.81 99 T 8.31 4.22 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 100 S 9.06 4.65 0.00 3.90 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 0.00 101 K 7.57 4.44 0.00 2.07 1.92 0.00 1.86 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.53 7.81 102 K 9.37 4.89 0.00 2.03 1.80 0.00 1.86 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.33 1.43 7.81 103 G 7.05 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.03 4.90 0.00 1.68 1.17 0.00 1.65 0.00 0.00 2.12 0.00 0.00 3.17 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.07 1.30 7.81 105 L 8.62 5.19 0.00 1.69 1.54 0.76 0.93 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 0.00 106 Y 9.04 5.62 0.00 3.01 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 0.00 107 A 8.98 5.37 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 0.00 108 L 9.57 5.06 0.00 1.96 1.97 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 109 S 9.06 5.22 0.00 3.93 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 0.00 110 Y 7.68 4.82 0.00 1.64 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 0.00 111 C 8.25 4.94 0.00 2.93 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 0.00 112 N 8.65 4.35 0.00 2.92 2.86 0.00 0.00 6.74 7.19 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 0.00 113 I 7.38 4.35 1.69 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 1.02 0.01 0.83 0.00 0.00 114 H 7.71 4.62 0.00 2.98 2.94 0.00 6.00 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 7.29 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.00 5.01 0.00 1.52 1.58 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 117 W 9.16 5.48 0.00 3.23 3.13 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 0.00 118 E 8.83 5.73 0.00 1.97 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 2.38 2.13 0.00 119 N 8.64 4.98 0.00 2.97 2.83 0.00 0.00 6.38 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 0.00 120 E 8.71 5.54 0.00 2.21 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 2.30 2.40 0.00 121 V 8.54 4.65 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 0.91 0.00 0.00 1.10 0.00 0.00 122 Q 8.79 4.41 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.13 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 123 L 9.17 3.92 0.00 1.44 1.68 0.13 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.85 4.21 0.00 2.17 1.92 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 2.41 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.