NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 H 4.4929 8.2876 120.3919 56.3559 30.2955 175.0971 *15 T 4.3489 8.4550 105.9179 60.8813 70.4583 174.5366 16 R 4.2629 7.2979 120.0005 55.1107 31.0670 175.8756 17 E 4.1775 8.2446 122.3157 55.8491 31.3848 175.3244 *19 R 4.5323 8.2951 119.7571 56.3659 31.5406 174.1271 20 I 5.0825 8.8283 126.0843 59.5295 41.2424 174.2025 21 L 5.1638 8.6559 125.8453 53.0470 44.7602 175.4084 22 I 4.7004 9.0034 124.4150 59.7253 39.2336 174.8362 23 L 4.4418 9.4924 126.4276 52.3412 45.7114 175.4371 24 G 4.3344 7.7646 104.7993 43.5937 0.0000 173.1158 25 L 4.3343 7.9967 120.6503 53.8435 42.3224 176.7488 26 D 4.4889 8.5219 120.1284 55.2435 39.1165 177.5015 27 G 3.9350 8.9734 108.3822 45.7317 0.0000 175.2514 28 A 3.9554 7.6317 122.2738 54.1442 18.6518 178.4763 29 G 4.2775 7.7319 101.8038 45.8675 0.0000 175.9707 30 K 3.8444 8.5229 121.2195 59.7224 32.0350 179.2493 31 T 4.1361 7.7665 116.6398 66.3776 68.3952 176.7525 32 T 3.9970 7.9728 117.2259 66.7358 68.4197 176.5616 33 I 3.7414 8.0171 121.7337 64.1678 37.2302 177.9454 34 L 3.7641 8.0729 121.5341 58.7218 41.8207 178.8249 35 Y 4.1228 7.9613 115.9648 60.4364 37.8503 178.0698 36 R 4.0765 8.3270 120.3380 59.5047 29.9694 178.5559 37 L 4.0746 8.0235 117.9980 57.6047 41.6342 179.0515 38 Q 4.1890 7.7866 118.5283 58.5019 29.3286 176.9217 39 V 4.3021 7.7717 108.5533 60.1410 33.3586 176.4751 40 G 3.9622 8.3835 107.6553 45.8145 0.0000 173.2113 41 E 4.7039 7.8792 117.2024 53.8744 32.5336 175.7571 42 V 3.9138 8.2463 120.9816 62.4609 31.8257 176.1562 43 V 4.2447 8.1595 120.4084 60.0947 33.4716 175.4561 44 T 4.3101 8.1971 118.7127 62.8002 68.9159 174.9077 45 T 4.6046 8.3103 116.4987 59.7069 71.3591 173.2599 46 I 4.6124 7.7292 114.3977 57.8277 40.4173 173.5901 47 P 4.1921 0.0000 0.0000 63.3323 31.8509 176.5385 48 T 4.2771 8.5489 119.7682 63.1459 68.1648 173.9506 49 I 4.3939 9.5743 129.5663 57.6070 37.5804 174.4596 50 G 4.2276 7.0214 119.8168 43.5907 0.0000 172.8383 51 F 5.3817 7.6333 118.9321 55.8184 40.4066 171.7158 52 N 5.3405 9.1987 117.2191 51.4723 41.9754 174.0544 53 V 4.6680 8.2515 121.1047 60.0500 34.2059 174.4875 54 E 4.7198 8.6888 122.5065 54.9390 34.5459 174.2971 55 T 4.7413 8.4292 118.8352 63.1082 69.5847 174.3231 56 V 4.5065 9.2092 126.7275 61.3602 34.4943 174.1598 57 T 5.1839 8.6460 123.7180 62.0508 70.5080 173.2300 58 Y 4.5374 9.0659 127.1287 57.0577 41.8997 175.3358 59 K 3.6347 8.8497 126.8473 57.8272 29.7877 174.6575 60 N 4.1898 8.0541 110.6483 53.9102 36.8865 174.6136 61 L 4.3872 7.9014 119.0676 53.5213 43.0315 175.4314 62 K 4.8953 7.9080 121.0192 54.7480 34.2724 175.7565 63 F 4.8949 9.1308 122.8594 55.6869 43.2695 173.6044 64 Q 4.8064 8.8807 124.5363 55.0791 30.6732 174.1001 65 V 4.9877 8.9313 127.1618 60.9739 34.4315 173.9365 66 W 4.9647 9.3769 128.5426 55.0843 30.9739 174.4946 67 D 5.0485 9.4431 126.0413 52.8056 42.0651 174.7696 68 L 4.7727 8.1461 126.7648 52.7789 43.3178 177.3128 69 G 4.1839 8.2537 110.4130 46.0828 0.0000 173.6919 70 G 4.5415 8.6647 109.3865 43.8783 0.0000 173.7142 71 L 4.0295 7.9238 120.3110 55.3273 42.0057 177.9163 72 T 3.7635 8.8694 120.0369 67.1287 68.2159 176.6922 73 S 4.1756 7.9777 113.0925 59.8972 63.6530 174.9722 74 I 3.7008 7.3645 115.6277 60.7982 38.0742 177.4853 75 R 2.5100 7.1313 120.2322 58.4325 29.4932 176.7737 76 P 4.1281 0.0000 0.0000 64.9692 31.7372 176.5782 77 Y 4.7263 7.2483 114.8948 58.7629 38.7385 177.4056 78 W 4.6747 8.2539 121.3587 60.1170 29.0767 178.4312 79 R 2.0000 7.8627 114.7037 58.5004 28.5104 178.2647 80 C 4.0239 7.7646 116.4393 61.9529 28.0635 174.3197 81 Y 4.2259 7.5863 116.1626 57.9586 37.9839 176.0745 82 Y 4.5485 7.5546 118.4437 60.1842 38.4034 176.5899 83 S 4.0683 8.0247 115.8437 60.0736 63.4544 173.8467 84 N 4.1502 8.6336 121.4562 54.7762 35.4632 174.6095 85 T 4.5202 7.7282 113.7228 62.2323 70.4674 175.0778 86 D 4.7046 9.1035 127.0926 56.7939 42.3608 176.3664 87 A 5.1292 7.7984 117.7114 50.5379 23.1162 175.1552 88 V 4.6558 8.8816 120.6513 61.1663 34.2201 174.6067 89 I 4.5060 8.6523 129.8088 60.2527 38.6843 174.2848 90 Y 4.8366 8.8414 130.5755 56.0223 39.8047 174.3322 91 V 4.3356 8.3070 128.3983 61.4898 33.6183 174.6924 92 V 4.4987 8.5401 127.4831 60.7209 34.7737 173.7799 93 D 4.8085 8.6880 127.6265 54.2802 41.8053 176.9678 94 S 4.2990 9.1877 123.6192 60.8998 63.0100 175.7740 95 C 4.5038 8.2727 116.6628 60.2171 28.6739 174.1317 96 D 4.6660 7.5681 120.8728 52.6169 39.5424 175.7184 97 R 4.1045 7.9921 122.8532 58.8016 30.7687 179.0773 98 D 4.4881 8.1309 116.4053 56.4989 41.2531 177.1123 99 R 4.5611 7.7746 116.0276 55.7376 30.9206 177.5708 100 I 3.8618 7.5869 119.5463 63.9262 37.7914 178.1214 101 G 3.6071 8.0859 106.4251 47.6953 0.0000 175.6348 102 I 3.8318 7.6031 122.9011 63.8704 37.3585 178.4902 103 S 4.3974 8.0430 117.2403 60.8239 62.6294 176.6979 104 K 3.9493 8.4286 122.8707 59.6522 31.9791 179.1230 105 S 4.1826 8.1170 114.4996 61.3906 62.7745 176.2423 106 E 4.1476 8.3755 121.8035 58.9801 29.2500 178.6841 107 L 3.8126 7.6836 119.6308 57.7422 42.2593 178.7263 108 V 3.7103 7.8616 118.0435 65.8600 31.2056 179.0067 109 A 4.0808 7.7359 117.6297 52.6540 17.9445 178.6737 *111 L 4.1350 7.8137 119.1545 55.8181 43.4532 177.7847 112 E 4.1756 7.8325 117.8731 57.7118 30.1194 176.8983 113 E 4.2550 7.5283 121.6550 55.7329 30.3760 177.6224 114 E 4.0198 9.0288 123.4045 59.6326 29.7652 179.2561 115 E 4.0638 8.2184 116.7257 58.7440 29.9733 177.4098 116 L 4.4259 7.7913 117.7891 54.3566 41.9188 178.0783 117 R 3.8477 7.8795 121.5825 59.2272 29.7983 177.6692 118 K 4.2495 7.8621 112.7316 57.0199 33.4452 176.4675 119 A 4.3597 7.5527 122.7310 52.1829 18.9706 177.5976 120 I 4.0579 8.5952 123.1689 61.1110 38.9219 174.7864 121 L 5.1174 9.0932 128.3045 53.4889 44.1680 174.9758 122 V 4.9581 9.0600 127.2008 61.2609 34.1356 174.1710 123 V 4.7561 9.1012 128.8060 61.6324 33.3717 174.5662 124 F 5.1789 9.3067 128.0228 56.3404 40.0007 175.2847 125 A 4.5778 9.1291 128.2242 51.3333 18.2307 175.9882 126 N 5.2763 9.2858 120.7406 51.8083 40.9208 174.2853 127 K 4.4145 8.4072 116.2718 57.0290 29.3589 177.5863 128 Q 3.8648 8.1936 117.5315 57.4142 29.4392 177.2096 129 D 4.6110 7.3753 120.6338 53.0663 37.9279 177.1891 *131 E 4.2247 7.8884 119.2659 56.9322 31.8069 177.2167 132 Q 4.5484 7.8514 116.8784 55.7285 30.0906 177.7306 133 A 4.7155 7.9636 119.0345 50.5587 17.9228 177.8377 *135 T 4.1431 8.1629 106.4626 62.0467 70.0472 174.2760 136 S 4.1903 8.7010 116.8060 61.6356 62.6764 175.6318 137 S 4.2801 8.1201 114.6366 61.2307 62.4587 175.8796 138 E 4.0729 7.9447 118.1322 56.3181 29.1641 178.7073 *140 A 4.1512 8.1701 123.8871 53.4988 20.8942 179.6928 141 N 4.3370 7.9385 113.2254 56.5639 38.7107 177.8865 142 S 4.2147 8.1740 112.9602 60.7163 62.9260 175.0016 143 L 4.3297 7.8393 117.9814 53.8514 41.8566 176.5730 144 G 3.8451 7.9544 107.4234 46.4106 0.0000 176.4124 145 L 3.2821 7.7420 122.2265 56.6801 41.5436 178.2368 146 P 4.4371 0.0000 0.0000 65.2151 31.3812 177.4425 147 A 4.1148 7.4348 119.8476 53.9601 18.5449 177.7948 148 L 3.9973 7.5087 116.9597 54.8918 41.8914 176.8267 149 K 4.4625 8.5313 123.1593 56.1869 33.9221 175.9736 150 D 4.4455 8.7353 120.1015 55.2899 38.2682 174.2581 151 R 4.6169 7.7374 116.2651 54.5302 33.5569 173.6750 152 K 4.6572 8.8169 125.0451 55.5605 33.2411 175.7886 153 W 6.3000 8.4016 121.0670 55.1896 31.4139 173.8100 154 Q 4.0899 8.4080 120.5880 54.7011 32.0157 172.5116 155 I 4.9663 7.9738 124.6489 59.2838 40.2025 174.7832 156 F 4.7757 9.0510 126.7790 55.3340 43.3614 174.2522 157 K 4.6997 8.7282 122.9030 56.6389 32.9233 176.1236 158 T 5.0702 9.0542 114.9974 59.8404 73.0174 172.9758 159 S 4.8034 8.8967 116.8292 56.5701 64.5487 174.6919 160 A 4.1262 8.8280 131.6517 55.1060 18.5819 178.7154 161 T 4.1138 7.9356 105.5221 64.4652 69.2028 175.9849 162 K 4.0851 8.1984 120.1309 56.7089 32.0587 178.0456 163 G 3.9909 8.4952 107.8493 45.0752 0.0000 173.3953 164 T 4.1327 7.5306 110.7293 62.4535 69.6910 175.8406 165 G 4.1993 8.7286 111.8529 46.7691 0.0000 175.5509 166 L 3.6306 7.0878 119.7104 57.7244 41.9369 178.2002 167 D 4.5383 8.1176 117.1014 57.3956 41.1949 177.4208 168 E 3.9180 8.1203 119.1445 59.1599 29.9611 178.5477 169 A 2.5800 7.0492 118.8396 52.1968 17.9143 178.5469 *171 E 4.3250 8.3000 121.6483 57.5001 31.6248 177.8065 172 W 4.0714 8.0844 127.9833 60.2691 30.6331 177.5068 173 L 3.7889 8.1623 120.3427 58.2336 41.5250 179.1983 174 V 3.6031 7.5806 117.4659 66.0316 31.4654 177.3963 175 E 3.8911 8.1661 119.0494 59.5454 29.2048 178.9832 176 T 3.5776 7.2771 114.9008 66.3731 68.5496 176.4399 177 L 4.0681 7.9610 121.1502 57.6774 41.3598 179.7657 178 K 3.9861 7.7513 117.9382 59.0957 32.1391 178.6586 179 S 4.4674 7.5071 111.0376 58.2418 63.4654 174.3882 180 R 4.0405 7.4140 127.2923 56.9854 29.8220 175.9370 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 13 H 8.29 4.49 0.00 3.21 3.09 0.00 5.86 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *15 T 8.45 4.35 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 1.26 0.00 0.00 16 R 7.30 4.26 0.00 2.05 1.89 0.00 3.17 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 17 E 8.24 4.18 0.00 1.95 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 2.31 2.38 0.00 *19 R 8.30 4.53 0.00 2.06 2.04 0.00 3.28 0.00 0.00 3.49 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 20 I 8.83 5.08 1.87 0.00 0.00 0.32 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 0.75 0.80 0.00 0.00 21 L 8.66 5.16 0.00 1.50 1.45 1.01 0.40 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 22 I 9.00 4.70 1.75 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 1.02 0.79 0.77 0.00 0.00 23 L 9.49 4.44 0.00 1.39 0.47 0.75 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.76 4.33 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 0.00 25 L 8.00 4.33 0.00 1.75 1.64 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.52 4.49 0.00 2.81 2.74 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 0.00 0.00 0.00 0.00 27 G 8.97 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 0.00 0.00 0.00 28 A 7.63 3.96 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 29 G 7.73 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 0.00 0.00 0.00 0.00 30 K 8.52 3.84 0.00 1.82 1.91 0.00 1.70 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.41 1.48 7.81 31 T 7.77 4.14 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 32 T 7.97 4.00 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 1.26 0.00 0.00 33 I 8.02 3.74 2.03 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.86 0.96 0.00 0.00 34 L 8.07 3.76 0.00 1.54 1.60 0.68 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 7.96 4.12 0.00 3.13 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 36 R 8.33 4.08 0.00 2.08 2.15 0.00 3.24 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 37 L 8.02 4.07 0.00 1.79 1.74 0.88 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 7.79 4.19 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 39 V 7.77 4.30 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 0.83 0.00 0.00 1.11 0.00 0.00 40 G 8.38 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 41 E 7.88 4.70 0.00 1.96 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 2.40 2.22 0.00 42 V 8.25 3.91 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 0.82 0.00 0.00 1.04 0.00 0.00 43 V 8.16 4.24 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 0.76 0.00 0.00 0.93 0.00 0.00 44 T 8.20 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 1.19 0.00 0.00 45 T 8.31 4.60 4.27 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 0.00 0.00 0.00 1.26 0.00 0.00 46 I 7.73 4.61 1.87 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 1.41 0.75 0.90 0.00 0.00 47 P 0.00 4.19 0.00 2.08 2.07 0.00 3.68 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 2.04 2.13 0.00 48 T 8.55 4.28 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 49 I 9.57 4.39 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.85 0.97 0.00 0.00 50 G 7.02 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 0.00 0.00 0.00 0.00 51 F 7.63 5.38 0.00 3.18 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 52 N 9.20 5.34 0.00 2.75 2.81 0.00 0.00 6.83 7.02 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 53 V 8.25 4.67 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 -0.14 0.00 0.00 54 E 8.69 4.72 0.00 1.71 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 2.05 2.13 0.00 55 T 8.43 4.74 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 1.22 0.00 0.00 56 V 9.21 4.51 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 1.19 0.00 0.00 0.92 0.00 0.00 57 T 8.65 5.18 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 1.27 0.00 0.00 58 Y 9.07 4.54 0.00 3.16 3.08 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 59 K 8.85 3.63 0.00 1.86 1.74 0.00 2.03 0.00 0.00 1.68 0.00 0.00 2.74 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.06 0.72 7.81 60 N 8.05 4.19 0.00 2.82 2.88 0.00 0.00 7.17 7.85 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 61 L 7.90 4.39 0.00 1.80 1.16 1.09 0.90 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 62 K 7.91 4.90 0.00 1.47 1.62 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.32 7.81 63 F 9.13 4.89 0.00 2.97 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 64 Q 8.88 4.81 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.30 0.00 65 V 8.93 4.99 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 0.86 0.00 0.00 1.02 0.00 0.00 66 W 9.38 4.96 0.00 3.17 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 67 D 9.44 5.05 0.00 2.67 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 68 L 8.15 4.77 0.00 1.27 1.58 0.47 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.25 4.18 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 0.00 70 G 8.66 4.54 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 71 L 7.92 4.03 0.00 1.76 1.63 0.93 0.75 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 72 T 8.87 3.76 4.18 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 1.13 0.00 0.00 73 S 7.98 4.18 0.00 3.98 3.95 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 74 I 7.36 3.70 2.06 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.87 1.06 0.00 0.00 75 R 7.13 2.51 0.00 1.31 0.82 0.00 2.82 0.00 0.00 2.76 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.48 0.00 76 P 0.00 4.13 0.00 1.62 1.95 0.00 3.04 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 77 Y 7.25 4.73 0.00 3.32 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 78 W 8.25 4.67 0.00 3.40 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 79 R 7.86 2.00 0.00 1.78 1.97 0.00 2.97 0.00 0.00 3.33 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.62 0.00 80 C 7.76 4.02 0.00 2.65 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 81 Y 7.59 4.23 0.00 2.92 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 82 Y 7.55 4.55 0.00 2.85 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 83 S 8.02 4.07 0.00 3.79 3.79 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 84 N 8.63 4.15 0.00 2.86 2.91 0.00 0.00 6.99 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 85 T 7.73 4.52 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 1.18 0.00 0.00 86 D 9.10 4.70 0.00 2.79 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 87 A 7.80 5.13 1.17 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 88 V 8.88 4.66 2.01 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 0.96 0.00 0.00 0.76 0.00 0.00 89 I 8.65 4.51 1.51 0.00 0.00 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 0.78 0.27 -0.29 0.00 0.00 90 Y 8.84 4.84 0.00 2.93 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 91 V 8.31 4.34 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 0.86 0.00 0.00 0.73 0.00 0.00 92 V 8.54 4.50 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 0.91 0.00 0.00 0.83 0.00 0.00 93 D 8.69 4.81 0.00 2.77 2.55 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 94 S 9.19 4.30 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 95 C 8.27 4.50 0.00 3.11 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 96 D 7.57 4.67 0.00 2.82 2.59 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 97 R 7.99 4.10 0.00 1.91 1.96 0.00 3.18 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 98 D 8.13 4.49 0.00 2.67 2.73 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 99 R 7.77 4.56 0.00 1.91 1.91 0.00 3.13 0.00 0.00 3.09 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 100 I 7.59 3.86 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.63 0.95 0.00 0.00 101 G 8.09 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 0.00 102 I 7.60 3.83 2.03 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 1.66 1.29 0.92 0.00 0.00 103 S 8.04 4.40 0.00 4.16 4.13 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 0.00 104 K 8.43 3.95 0.00 1.98 2.01 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.49 7.81 105 S 8.12 4.18 0.00 4.11 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 0.00 106 E 8.38 4.15 0.00 2.23 2.34 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 2.54 2.49 0.00 107 L 7.68 3.81 0.00 1.37 1.69 0.12 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.86 3.71 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 0.93 0.00 0.00 0.90 0.00 0.00 109 A 7.74 4.08 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 *111 L 7.81 4.13 0.00 1.59 1.70 0.77 0.82 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 0.00 112 E 7.83 4.18 0.00 2.09 2.01 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 2.59 2.42 0.00 113 E 7.53 4.26 0.00 2.10 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 2.64 2.83 0.00 114 E 9.03 4.02 0.00 2.05 2.03 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 2.41 2.36 0.00 115 E 8.22 4.06 0.00 2.08 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 0.00 2.34 2.37 0.00 116 L 7.79 4.43 0.00 1.58 1.48 -0.15 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 117 R 7.88 3.85 0.00 1.87 2.02 0.00 3.25 0.00 0.00 3.28 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0.13 0.57 0.51 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 0.00 146 P 0.00 4.44 0.00 2.05 2.19 0.00 3.52 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.16 0.00 147 A 7.43 4.11 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 0.00 148 L 7.51 4.00 0.00 1.61 1.58 0.46 0.75 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 0.00 149 K 8.53 4.46 0.00 1.75 1.74 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.57 7.81 150 D 8.74 4.45 0.00 2.82 2.74 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 0.00 0.00 0.00 0.00 151 R 7.74 4.62 0.00 1.91 1.96 0.00 3.33 0.00 0.00 3.38 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.94 0.00 152 K 8.82 4.66 0.00 1.86 1.88 0.00 1.65 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.55 1.48 7.81 153 W 8.40 6.30 0.00 3.37 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 0.00 154 Q 8.41 4.09 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.91 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 155 I 7.97 4.97 1.96 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.22 0.87 0.00 0.00 156 F 9.05 4.78 0.00 2.77 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 0.00 157 K 8.73 4.70 0.00 1.72 1.74 0.00 1.60 0.00 0.00 1.86 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.42 7.81 158 T 9.05 5.07 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 0.72 0.00 0.00 159 S 8.90 4.80 0.00 3.86 3.72 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 0.00 0.00 0.00 160 A 8.83 4.13 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 0.00 161 T 7.94 4.11 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 1.23 0.00 0.00 162 K 8.20 4.09 0.00 1.77 1.91 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.53 7.81 163 G 8.50 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 0.00 164 T 7.53 4.13 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 0.00 165 G 8.73 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 0.00 0.00 0.00 0.00 166 L 7.09 3.63 0.00 1.76 1.68 0.99 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 167 D 8.12 4.54 0.00 2.68 2.81 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 0.00 0.00 0.00 168 E 8.12 3.92 0.00 1.95 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 2.36 2.34 0.00 169 A 7.05 2.58 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *171 E 8.30 4.32 0.00 2.17 2.26 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 2.36 2.38 0.00 172 W 8.08 4.07 0.00 3.57 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 L 8.16 3.79 0.00 1.98 1.53 0.92 0.53 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 0.00 174 V 7.58 3.60 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 1.11 0.00 0.00 1.13 0.00 0.00 175 E 8.17 3.89 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 2.14 2.29 0.00 176 T 7.28 3.58 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 177 L 7.96 4.07 0.00 1.83 1.75 1.02 1.07 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 0.00 178 K 7.75 3.99 0.00 1.93 1.83 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.64 7.81 179 S 7.51 4.47 0.00 3.92 3.91 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 0.00 180 R 7.41 4.04 0.00 1.82 1.91 0.00 3.18 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 * Residues marked with a * may have inaccurate shift predictions.