NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3644 8.3301 115.2885 58.1112 62.4522 172.9360 2 A 3.8846 8.4208 129.3891 52.9351 18.7465 172.9091 3 V 4.4086 7.3783 115.4023 61.3225 33.9797 174.6083 4 S 4.5282 8.7483 122.5750 57.7350 65.3498 175.1774 5 E 3.9840 8.6013 121.8575 59.4418 29.2601 179.5946 6 S 4.0635 7.9959 112.8325 61.5669 62.5510 176.0897 7 Q 4.0146 7.9531 120.3010 58.9054 28.5274 178.8506 8 L 3.9392 8.0235 119.9996 57.7487 41.4482 179.6203 9 K 3.9518 8.0619 117.5331 59.3789 32.2949 179.2559 10 K 4.1232 7.9805 118.4817 59.6930 31.7670 179.1300 11 M 4.0735 7.6535 117.7970 58.0040 32.0416 178.3979 12 V 3.8583 7.3101 111.0059 60.9141 32.4677 178.2921 13 S 4.0865 7.8200 116.6573 61.0347 62.7101 175.1926 14 K 4.4142 8.0145 117.3855 56.3963 32.4094 176.2193 15 Y 4.4133 8.1007 117.5183 57.6937 38.4430 176.0130 16 K 3.9485 8.5334 121.8174 58.4545 32.5187 177.3521 17 Y 4.8665 7.3674 115.9837 55.5084 38.4874 176.0077 18 R 3.9987 8.3277 122.8784 59.3922 30.7555 177.9013 19 D 4.4248 8.1625 118.0792 57.4199 40.9420 178.7937 20 L 4.1831 8.0604 119.1068 58.0915 41.7038 179.5649 21 T 4.2718 8.0539 115.7835 66.5387 68.3663 177.0930 22 V 3.5623 8.1912 120.5723 65.9311 31.5987 177.8956 23 R 3.8956 8.4378 118.8427 59.6815 29.9561 178.1334 24 E 4.0785 8.2100 118.4477 59.4659 29.5331 178.8977 25 T 3.8536 8.0762 116.0078 66.4645 68.5062 176.7416 26 V 3.5709 8.0864 120.4403 66.1291 31.6201 177.6794 27 N 4.3205 8.1940 116.1581 56.3685 38.3455 177.5955 28 V 3.7613 7.9978 119.6750 66.1030 31.5376 178.2210 29 I 3.9205 7.8453 111.2998 63.9234 37.4174 178.0039 30 T 4.0327 7.7161 117.4384 66.3436 68.4174 176.1320 31 L 4.1463 7.5933 120.6155 56.0032 43.1518 176.0487 32 Y 4.5524 7.9506 117.9949 55.4069 37.4632 176.2037 33 K 4.0626 8.4544 123.4996 58.4606 32.7024 177.6172 34 D 4.8433 8.1697 117.5291 53.7694 41.3168 174.7644 35 L 5.1092 7.8367 120.1138 52.9688 43.4008 176.1445 36 K 4.7817 9.0017 123.1445 53.7721 35.8619 173.4786 37 P 4.8974 0.0000 0.0000 62.3834 32.5588 175.5825 38 V 4.4213 8.7339 123.0840 61.0164 35.3979 173.4134 39 L 4.9256 8.5147 129.4122 54.1720 43.0163 174.7745 40 D 4.9785 9.2605 125.0642 53.2349 45.9208 173.4418 41 S 5.1406 8.8186 115.9979 57.4389 65.1528 172.5588 42 Y 3.8031 8.6568 126.1004 57.2303 38.2450 174.6240 43 G 3.8518 8.9254 119.6265 45.2759 0.0000 171.8567 44 T 4.3215 7.0942 116.1941 60.9714 70.4638 175.9679 *48 G 4.1232 8.5673 114.2268 45.7789 0.0000 173.9723 49 S 4.3027 7.9163 112.5850 60.0113 64.1988 174.7719 50 R 4.3166 8.0222 125.1010 55.2973 27.8658 174.6723 51 E 4.7816 7.9589 120.0820 56.1739 30.8074 177.1387 52 L 5.1381 9.4804 123.5516 53.5309 47.1458 174.8187 53 M 4.9849 9.6545 122.1860 55.1154 33.7085 174.7733 54 N 5.2786 9.1029 122.0417 51.0971 41.7075 173.1303 55 L 4.9023 8.5193 120.5936 53.6806 43.6266 175.6629 56 T 4.8263 9.9827 121.3147 60.7972 71.8453 174.4309 57 G 4.3939 7.2248 111.5144 46.2363 0.0000 171.6069 58 T 5.8491 8.2181 114.0764 58.8476 72.4313 173.7968 59 I 4.7736 8.0739 115.1452 58.3043 40.9820 172.5480 60 P 5.0748 0.0000 0.0000 62.7552 32.3393 175.5506 61 V 4.6169 9.1897 124.7841 60.1300 34.4007 172.7275 62 P 5.0855 0.0000 0.0000 63.1299 32.5332 175.5462 63 Y 4.7272 10.0400 123.1089 58.0423 42.0929 174.6251 64 R 3.6593 9.4043 126.8147 57.1154 27.7434 177.3407 65 G 4.0171 8.6804 106.0231 44.9951 0.0000 173.4842 66 N 5.0857 8.1262 116.1814 51.6453 42.7124 173.4565 67 T 4.9025 8.2009 117.3306 62.5678 70.0177 173.8842 68 Y 4.6113 9.2528 124.6743 56.4891 41.1231 175.1329 69 N 5.2711 8.7572 120.0093 52.0280 39.2744 174.1541 70 I 4.1378 8.5338 126.2203 59.8350 38.7108 173.7029 71 P 5.0804 0.0000 0.0000 62.6016 32.6900 175.3961 72 I 5.2242 9.1092 117.3165 59.3843 42.1268 173.6773 73 C 4.8044 9.0924 122.2216 57.8983 34.8473 172.4470 74 L 4.7586 8.7345 127.3887 52.7967 43.5247 175.6259 75 W 4.6716 9.0844 125.8965 55.8080 30.5224 175.6873 76 L 4.8221 8.5319 125.8302 53.0504 42.1010 177.0715 77 L 4.2327 8.5949 124.3553 54.2645 42.4218 177.7127 78 D 3.3700 8.2896 118.7213 54.6357 39.4342 177.3547 79 T 4.6797 7.4981 109.6171 61.4702 69.4517 173.5502 80 Y 4.4263 8.0578 124.2024 57.7152 39.1889 173.8925 81 P 3.0564 0.0000 0.0000 62.5574 31.7165 176.4445 82 Y 4.0612 7.7916 117.7889 60.0180 38.0470 175.5371 83 N 5.1136 7.7975 115.9162 50.2124 41.7591 172.4599 84 P 2.9700 0.0000 0.0000 61.1705 32.1350 174.2410 85 P 4.5496 0.0000 0.0000 62.8530 32.7308 175.3990 86 I 4.2366 8.4683 121.9158 60.1353 38.8608 174.5242 87 C 5.2947 8.2481 124.5829 57.9655 31.0909 173.0413 88 F 5.4286 9.0832 120.5131 55.7912 43.2605 173.7997 89 V 4.3894 8.8447 122.2216 61.9361 32.5055 176.3616 90 K 4.6729 8.6908 128.3420 53.1302 31.8619 173.9153 91 P 4.2452 0.0000 0.0000 62.6795 32.1033 177.9996 92 T 4.3106 8.0092 110.2152 60.8541 70.8112 174.9716 93 S 4.1101 8.5679 115.0020 61.0239 63.1829 174.9324 94 S 4.4525 7.5572 112.9215 58.7212 63.5551 173.6858 95 M 4.6916 7.1569 120.5206 54.3181 34.2787 175.5182 96 T 4.4639 7.8915 115.8120 61.4845 73.0920 173.8193 97 I 4.0286 8.2295 126.0647 61.5096 37.9886 176.1019 98 K 4.6454 8.8044 129.3004 54.7302 31.8851 175.3516 99 T 4.2040 8.4767 123.0979 63.7247 69.2457 174.6038 100 G 4.0016 8.9110 114.5323 45.3664 0.0000 173.4983 101 K 3.7686 9.0739 120.3959 59.5261 32.3847 178.3618 102 H 5.1181 8.1351 112.0439 54.5379 29.5512 173.7903 103 V 5.0266 7.7184 119.3861 61.3823 34.4003 174.7160 104 D 4.8764 8.9873 126.9317 51.4510 41.3959 176.7467 105 A 4.0976 8.6644 121.2404 55.5081 18.0720 178.1846 106 N 4.6368 8.4949 110.0037 53.5061 39.1197 176.0459 107 G 4.0730 8.8682 108.4008 44.8142 0.0000 173.2298 108 K 4.1114 8.6016 122.4364 56.3760 33.2290 175.7932 109 I 5.0108 8.2313 128.7845 60.7462 38.1553 174.8185 110 Y 4.7375 9.3759 124.0139 56.2561 41.0180 174.9897 111 L 4.8849 8.4677 122.7365 51.5042 46.2883 175.4142 112 P 4.3796 0.0000 0.0000 66.0194 31.0067 178.3664 113 Y 4.0011 8.1374 117.1378 60.6378 38.8705 177.7884 114 L 4.5275 8.0064 119.4474 57.9682 41.8286 178.5426 115 H 4.3413 8.4686 117.4796 58.2070 29.7864 175.6087 116 E 4.4905 7.7528 116.0397 55.1744 29.7214 175.3225 117 W 3.9134 7.4659 128.2693 58.1713 31.0331 175.4745 118 K 4.3650 8.2318 126.6127 55.1075 34.3949 174.6225 119 H 4.2220 8.6010 126.7322 55.4033 30.3252 172.9041 120 P 4.1235 0.0000 0.0000 62.5918 31.8401 176.6132 121 Q 3.9020 7.6939 118.6958 58.5108 28.8427 176.7272 122 S 4.1292 7.3067 113.8140 56.8254 64.1083 173.5269 123 D 4.9759 8.3015 123.2550 51.0443 43.7376 176.6269 124 L 4.2823 8.7304 118.4769 58.0126 41.5180 179.8478 125 L 4.2009 8.7858 119.3901 57.8573 41.6587 179.8834 126 G 3.5230 9.0547 105.9704 47.5357 0.0000 175.4677 127 L 3.1512 7.8319 122.7167 57.8267 42.0757 179.2401 128 I 3.5434 7.9086 119.9601 64.1261 37.0290 178.1339 129 Q 3.9150 7.9538 120.5594 59.2223 28.7791 178.6489 130 V 3.4666 7.3996 118.9665 66.1546 31.5234 177.8627 131 M 3.3501 7.7115 118.3714 58.1672 31.7556 178.7342 132 I 3.7304 7.7571 120.0457 64.3238 37.1337 178.7294 133 V 3.5492 7.5333 118.4745 65.9533 31.4365 178.2688 134 V 3.5374 7.7897 118.2364 66.1760 31.1664 178.0805 135 F 5.1175 7.7180 117.8185 59.7763 38.7581 177.6999 136 G 3.8559 7.9939 105.0875 47.6985 0.0000 174.9826 137 D 4.9022 7.9162 119.4846 55.7944 41.7393 175.8002 138 E 4.3801 8.2058 120.6005 54.0783 30.5891 171.7110 139 P 4.1415 0.0000 0.0000 62.2348 31.9561 175.3134 140 P 4.6886 0.0000 0.0000 63.5510 32.1125 175.6722 141 V 4.9644 7.2271 111.4501 60.5699 36.2350 173.8776 142 F 4.8772 8.2235 115.5698 55.9414 41.6152 174.8331 143 S 4.4997 8.7274 114.9017 59.0198 62.8405 174.3877 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 S 8.33 4.36 0.00 3.84 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 2 A 8.42 3.88 1.31 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 0.00 0.00 3 V 7.38 4.41 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 0.85 0.00 0.00 0.91 0.00 0.00 4 S 8.75 4.53 0.00 4.10 3.97 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 5 E 8.60 3.98 0.00 2.03 2.05 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 2.40 2.37 0.00 6 S 8.00 4.06 0.00 3.88 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 7 Q 7.95 4.01 0.00 2.33 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 8 L 8.02 3.94 0.00 1.85 1.67 0.90 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.06 3.95 0.00 1.87 1.88 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.48 1.73 7.81 10 K 7.98 4.12 0.00 2.04 1.85 0.00 1.56 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.52 7.81 11 M 7.65 4.07 0.00 1.92 2.22 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.57 0.00 12 V 7.31 3.86 1.29 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 0.11 0.00 0.00 0.87 0.00 0.00 13 S 7.82 4.09 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 14 K 8.01 4.41 0.00 1.91 1.94 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.45 7.81 15 Y 8.10 4.41 0.00 3.07 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 16 K 8.53 3.95 0.00 0.82 0.77 0.00 1.43 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.24 1.29 7.81 17 Y 7.37 4.87 0.00 3.40 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 18 R 8.33 4.00 0.00 1.92 2.01 0.00 3.17 0.00 0.00 3.60 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.86 0.00 19 D 8.16 4.42 0.00 2.76 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 20 L 8.06 4.18 0.00 1.87 1.80 0.96 0.84 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 21 T 8.05 4.27 4.52 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 1.24 0.00 0.00 22 V 8.19 3.56 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 1.09 0.00 0.00 1.00 0.00 0.00 23 R 8.44 3.90 0.00 2.08 1.99 0.00 3.23 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 24 E 8.21 4.08 0.00 2.36 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 2.52 0.00 25 T 8.08 3.85 4.37 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 1.17 0.00 0.00 26 V 8.09 3.57 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 1.04 0.00 0.00 1.00 0.00 0.00 27 N 8.19 4.32 0.00 3.02 2.90 0.00 0.00 6.71 7.52 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 28 V 8.00 3.76 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 1.20 0.00 0.00 1.06 0.00 0.00 29 I 7.85 3.92 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.75 1.01 0.00 0.00 30 T 7.72 4.03 4.40 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 1.18 0.00 0.00 31 L 7.59 4.15 0.00 1.43 1.35 0.65 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.95 4.55 0.00 3.17 2.87 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 33 K 8.45 4.06 0.00 1.75 1.88 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.44 7.81 34 D 8.17 4.84 0.00 2.86 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 35 L 7.84 5.11 0.00 1.73 1.56 0.79 0.77 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 36 K 9.00 4.78 0.00 1.56 1.62 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.32 7.81 37 P 0.00 4.90 0.00 2.02 2.00 0.00 3.68 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 1.93 1.92 0.00 38 V 8.73 4.42 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 0.98 0.00 0.00 0.86 0.00 0.00 39 L 8.51 4.93 0.00 1.68 1.58 1.09 1.16 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 40 D 9.26 4.98 0.00 2.87 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 41 S 8.82 5.14 0.00 4.14 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 42 Y 8.66 3.80 0.00 1.43 2.38 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 43 G 8.93 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 44 T 7.09 4.32 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 1.19 0.00 0.00 *48 G 8.57 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 49 S 7.92 4.30 0.00 3.98 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 50 R 8.02 4.32 0.00 1.83 2.01 0.00 3.10 0.00 0.00 3.10 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 51 E 7.96 4.78 0.00 1.98 1.98 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 2.38 2.39 0.00 52 L 9.48 5.14 0.00 1.96 1.88 1.02 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 53 M 9.65 4.98 0.00 1.99 1.81 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.40 0.00 54 N 9.10 5.28 0.00 2.01 1.81 0.00 0.00 6.71 6.41 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 55 L 8.52 4.90 0.00 1.46 1.54 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 56 T 9.98 4.83 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 1.11 0.00 0.00 57 G 7.22 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.22 5.85 4.20 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 1.23 0.00 0.00 59 I 8.07 4.77 1.74 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.97 0.62 0.00 0.00 60 P 0.00 5.07 0.00 2.18 2.18 0.00 3.90 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 2.15 2.11 0.00 61 V 9.19 4.62 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 1.21 0.00 0.00 1.10 0.00 0.00 62 P 0.00 5.09 0.00 2.20 2.11 0.00 3.96 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 63 Y 10.04 4.73 0.00 3.05 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 64 R 9.40 3.66 0.00 1.73 1.78 0.00 3.20 0.00 0.00 2.89 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.80 0.00 65 G 8.68 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 66 N 8.13 5.09 0.00 2.57 2.31 0.00 0.00 6.75 6.35 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 67 T 8.20 4.90 4.20 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 1.25 0.00 0.00 68 Y 9.25 4.61 0.00 2.98 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 69 N 8.76 5.27 0.00 2.64 2.82 0.00 0.00 7.00 7.45 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 70 I 8.53 4.14 1.89 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 1.34 0.91 0.62 0.00 0.00 71 P 0.00 5.08 0.00 2.26 2.16 0.00 3.55 0.00 0.00 3.94 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 72 I 9.11 5.22 1.95 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 1.08 0.65 0.98 0.00 0.00 73 C 9.09 4.80 0.00 2.84 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 74 L 8.73 4.76 0.00 1.44 1.46 0.83 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 75 W 9.08 4.67 0.00 3.15 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 76 L 8.53 4.82 0.00 1.75 1.67 0.66 0.59 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 77 L 8.59 4.23 0.00 1.73 1.56 0.92 1.06 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 78 D 8.29 3.37 0.00 2.51 2.36 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 79 T 7.50 4.68 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 1.23 0.00 0.00 80 Y 8.06 4.43 0.00 3.17 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 81 P 0.00 3.06 0.00 1.73 1.37 0.00 3.68 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 0.88 1.54 0.00 82 Y 7.79 4.06 0.00 3.11 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 83 N 7.80 5.11 0.00 2.68 2.64 0.00 0.00 6.95 8.02 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 84 P 0.00 2.97 0.00 1.80 1.53 0.00 3.64 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.02 0.00 85 P 0.00 4.55 0.00 1.98 1.92 0.00 2.66 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.84 0.00 86 I 8.47 4.24 1.84 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 1.31 0.56 0.79 0.00 0.00 87 C 8.25 5.29 0.00 2.73 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 88 F 9.08 5.43 0.00 2.97 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 89 V 8.84 4.39 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 0.64 0.00 0.00 0.91 0.00 0.00 90 K 8.69 4.67 0.00 1.58 1.68 0.00 1.82 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.46 7.81 91 P 0.00 4.25 0.00 2.22 1.93 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.88 0.00 92 T 8.01 4.31 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 1.19 0.00 0.00 93 S 8.57 4.11 0.00 3.98 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 94 S 7.56 4.45 0.00 4.02 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 95 M 7.16 4.69 0.00 1.75 2.01 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 96 T 7.89 4.46 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 0.93 0.00 0.00 97 I 8.23 4.03 1.84 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.39 0.97 0.00 0.00 98 K 8.80 4.65 0.00 1.98 1.80 0.00 1.81 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.52 1.50 7.81 99 T 8.48 4.20 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 0.00 100 G 8.91 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.07 3.77 0.00 1.66 1.75 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.07 1.36 7.81 102 H 8.14 5.12 0.00 3.38 3.49 0.00 5.91 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 7.72 5.03 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 1.10 0.00 0.00 1.10 0.00 0.00 104 D 8.99 4.88 0.00 3.01 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 0.00 105 A 8.66 4.10 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 0.00 106 N 8.49 4.64 0.00 3.06 3.03 0.00 0.00 7.05 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 0.00 107 G 8.87 4.07 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 0.00 0.00 0.00 108 K 8.60 4.11 0.00 1.95 2.16 0.00 1.08 0.00 0.00 1.08 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.86 0.80 7.81 109 I 8.23 5.01 1.83 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.91 1.00 0.00 0.00 110 Y 9.38 4.74 0.00 2.88 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 0.00 111 L 8.47 4.88 0.00 1.75 1.57 0.82 0.91 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 0.00 112 P 0.00 4.38 0.00 2.24 2.18 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 113 Y 8.14 4.00 0.00 2.97 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 0.00 114 L 8.01 4.53 0.00 1.97 1.74 0.89 1.09 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 0.00 115 H 8.47 4.34 0.00 3.19 3.56 0.00 5.91 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 0.00 116 E 7.75 4.49 0.00 2.06 1.98 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 2.48 2.08 0.00 117 W 7.47 3.91 0.00 3.62 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 0.00 118 K 8.23 4.36 0.00 1.65 1.37 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.20 1.32 7.81 119 H 8.60 4.22 0.00 2.88 2.65 0.00 5.96 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.12 0.00 1.95 1.60 0.00 3.64 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 121 Q 7.69 3.90 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.78 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 122 S 7.31 4.13 0.00 2.72 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 0.00 123 D 8.30 4.98 0.00 3.25 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 0.00 124 L 8.73 4.28 0.00 2.07 1.84 0.71 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.79 4.20 0.00 1.74 1.79 0.96 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 126 G 9.05 3.52 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 0.00 127 L 7.83 3.15 0.00 2.11 1.97 0.99 1.03 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 0.00 128 I 7.91 3.54 1.73 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.45 0.20 0.00 0.00 129 Q 7.95 3.92 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 130 V 7.40 3.47 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 0.93 0.00 0.00 0.77 0.00 0.00 131 M 7.71 3.35 0.00 1.63 1.98 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.18 0.00 132 I 7.76 3.73 2.02 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 1.67 1.28 0.97 0.00 0.00 133 V 7.53 3.55 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 0.99 0.00 0.00 0.97 0.00 0.00 134 V 7.79 3.54 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 0.84 0.00 0.00 0.76 0.00 0.00 135 F 7.72 5.12 0.00 3.05 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 0.00 136 G 7.99 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 0.00 137 D 7.92 4.90 0.00 2.70 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 0.00 138 E 8.21 4.38 0.00 2.12 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 2.25 2.34 0.00 139 P 0.00 4.14 0.00 1.75 1.49 0.00 3.16 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.28 0.00 140 P 0.00 4.69 0.00 1.72 1.74 0.00 3.18 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 1.42 0.44 0.00 141 V 7.23 4.96 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 0.51 0.00 0.00 0.75 0.00 0.00 142 F 8.22 4.88 0.00 3.04 3.03 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 0.00 143 S 8.73 4.50 0.00 3.96 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 * Residues marked with a * may have inaccurate shift predictions.