NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 W 5.1497 8.1333 120.5514 56.5461 31.4378 173.6061 4 K 5.2112 9.1128 122.1376 54.3684 35.4753 173.4775 5 I 5.2717 9.7739 127.6070 59.5314 41.2513 174.0511 6 A 5.0010 8.6678 127.9653 50.1059 21.9221 175.7996 7 V 4.6189 8.7970 120.0899 61.1673 34.8408 174.4551 8 V 4.8311 8.3042 129.0662 61.5188 33.6217 173.8551 9 D 4.7747 8.8366 125.3246 53.5340 44.7016 176.1405 10 D 4.7236 8.9945 124.2352 54.4359 40.2179 175.6264 11 D 4.6005 8.9010 121.5535 52.9563 41.0452 176.4006 12 K 3.8640 8.8553 127.7349 59.9511 31.9520 178.5852 13 N 4.3397 8.3938 116.8559 56.5633 38.7127 177.1205 14 I 3.8061 7.7900 121.4122 64.1884 37.2285 178.2694 15 L 3.9648 7.8608 119.3537 57.6410 41.5620 179.3740 16 K 3.9348 8.1646 119.3825 59.4994 32.3053 179.0215 17 K 3.9944 8.2545 118.9145 59.4213 31.9566 179.6288 18 V 3.6726 8.1922 119.0138 66.0306 31.5126 178.0797 19 S 4.1632 8.1594 114.0453 61.7917 62.4678 176.4115 20 E 4.0197 8.1096 121.1191 58.7656 29.2190 178.8745 21 K 4.1465 7.8009 118.9522 58.8937 32.5943 178.1628 22 L 4.3634 8.3756 118.0941 55.6112 41.4473 178.3378 23 Q 4.1413 8.1658 120.6916 59.1233 28.6451 178.1804 24 Q 4.1601 8.0840 117.3166 58.8004 28.7216 177.7728 25 L 4.5506 8.1181 120.6763 57.3203 42.3893 177.2392 26 G 4.0988 7.2029 103.0733 46.0695 0.0000 171.1467 27 R 4.2658 7.9143 121.6310 56.1328 31.2844 176.9529 28 V 5.0603 8.5300 125.8627 60.9652 34.1092 174.2262 29 K 4.7484 9.3532 129.2504 54.8022 34.8696 174.8606 30 T 5.1159 8.2645 116.6689 60.3588 71.5175 173.7876 31 F 4.8719 9.0917 121.0382 56.3227 43.0260 175.7955 32 L 4.5801 9.2273 122.3233 55.8511 42.3169 176.4864 33 T 4.9802 7.6528 108.1370 58.9079 73.2866 174.8855 34 G 3.5619 8.8146 108.5422 47.7306 0.0000 175.6817 35 E 4.0036 8.9233 121.9076 59.5021 29.4609 178.7773 36 D 4.4968 7.9804 117.3331 57.2940 41.2696 178.3925 37 F 3.0906 7.8844 121.0158 60.9637 39.1492 177.3306 38 L 3.7397 8.0517 117.5806 57.3084 41.4212 178.3195 39 N 4.7368 7.8035 113.8265 52.4173 38.7760 174.2405 40 D 4.6532 7.2337 121.6593 52.9516 41.5538 175.4318 41 E 4.2701 8.7136 124.3433 56.3096 29.7971 176.1676 42 E 4.2157 7.8266 117.2092 55.4502 31.1544 175.2942 43 A 4.5605 7.7821 121.8073 50.8105 20.6709 176.7029 44 F 4.9925 8.1765 117.5059 56.0577 43.1517 175.1042 45 H 4.6638 9.4439 121.5448 58.3496 29.9256 175.7612 46 V 5.0864 8.0024 116.4721 61.0738 35.5087 174.4772 47 V 4.5652 9.0462 126.6522 61.0460 34.3841 174.4480 48 V 4.2503 8.8251 129.7822 61.9770 32.6300 174.3107 49 L 4.8454 8.7743 130.8386 52.9620 44.6531 175.3560 50 D 5.2762 8.7050 125.9516 53.2204 43.0281 175.6639 51 V 3.9310 7.7525 121.0550 62.9733 32.0260 175.4026 *53 L 4.3629 7.9145 117.2863 53.5176 42.9713 175.7611 54 P 4.3996 0.0000 0.0000 65.5478 31.5506 177.5849 55 D 4.5224 8.2177 115.1945 54.7635 40.3597 175.6490 56 Y 4.7526 7.7818 114.5557 55.4255 41.4349 174.9666 57 S 4.9486 8.8357 114.9603 56.8875 65.2580 175.1888 58 G 3.6534 8.5023 116.0624 47.3073 0.0000 175.8781 59 Y 4.3189 7.3004 118.9107 61.0752 37.6611 178.3116 60 E 4.0720 8.2339 117.8382 59.5599 29.7834 179.0159 61 I 3.7603 7.4414 118.2746 64.4804 37.4649 177.6046 62 C 4.2284 8.4271 119.9034 62.5023 31.2822 176.5108 63 R 3.8478 7.9043 116.2304 56.9494 29.3251 178.5555 *65 I 4.1124 7.6905 121.4479 61.4849 38.9436 178.3860 66 K 3.6837 7.9333 117.8660 58.9963 31.9001 177.8907 67 E 4.3232 8.0146 116.6492 57.1272 29.9083 176.8898 68 T 4.4567 7.7262 107.3181 62.6857 71.1416 174.8708 69 R 4.6801 8.6671 121.3797 53.0665 30.7942 173.8225 70 P 4.1800 0.0000 0.0000 64.8834 31.7598 178.4583 71 E 3.8547 7.8822 115.8628 58.3677 29.9635 177.1781 72 T 4.0571 7.5536 117.4752 63.3741 69.4262 173.9379 73 W 4.5566 9.1024 126.2366 55.4567 31.0324 175.3353 74 V 4.7666 9.1920 125.4983 61.1455 33.7051 174.1279 75 I 4.8856 8.5588 129.3863 59.4976 39.3502 174.9604 76 L 4.4257 8.5190 128.3621 54.1220 43.2226 176.1054 77 L 4.7381 8.6554 125.2992 53.6943 44.6165 174.8920 78 T 4.9128 8.2986 120.4319 60.4204 70.9975 174.4063 79 L 4.1758 8.5666 124.4879 57.1727 41.0868 177.1283 80 L 4.2013 7.9019 121.0378 55.0209 41.5248 176.5089 81 S 4.8097 8.6310 116.4404 57.1063 63.9642 173.9646 82 D 4.6506 7.8719 119.5225 53.6202 41.4577 176.4738 83 D 4.3388 8.6966 121.0788 57.9351 40.7548 179.2034 84 E 3.9608 8.1576 118.2583 59.5925 29.5143 179.4863 85 S 4.1887 8.6512 115.4230 61.4049 62.9618 176.9173 86 V 2.0765 7.5212 120.9760 65.5438 31.1517 178.1254 87 L 4.1093 8.2037 119.1285 57.8104 41.4449 179.6341 88 K 3.8595 8.3219 118.8197 59.0998 31.8102 179.6113 89 G 3.8921 7.9840 106.0334 48.1580 0.0000 175.8943 90 F 4.2843 8.0581 120.6168 60.0786 38.6663 177.7273 91 E 4.0365 8.5089 117.7579 58.9643 29.3227 178.3386 92 A 4.3453 7.7226 118.4777 52.4162 18.8368 177.9731 93 G 3.9567 8.0921 105.7047 44.6628 0.0000 174.2504 94 A 4.1074 7.6597 122.4000 52.6269 18.7804 177.5079 95 D 5.0270 8.7860 120.2076 55.4363 42.2744 176.1113 96 D 4.9676 7.7813 116.3697 53.4336 45.1140 173.5452 97 Y 4.7538 8.5683 122.9925 56.1045 41.4217 174.0994 98 V 4.6013 8.9580 127.9607 61.2273 34.2200 174.3917 99 T 5.1853 8.5372 117.0276 60.1445 70.9786 173.8083 100 K 4.9123 8.6770 123.9549 54.5294 33.4890 175.1832 101 P 4.5065 0.0000 0.0000 62.5603 32.1002 175.3365 102 F 4.9157 7.9778 114.0838 54.9100 41.0672 173.8505 103 N 4.5663 8.5868 119.9954 51.4974 39.1352 173.5879 104 P 4.5659 0.0000 0.0000 66.3998 30.9264 177.8642 105 E 4.0133 8.7804 118.9634 58.8928 29.3947 178.7784 106 I 3.8365 8.1133 120.3539 63.9359 37.2136 177.9415 107 L 3.8863 7.9771 120.8210 57.7988 41.9038 178.5818 108 L 3.8685 8.0464 120.1227 58.1970 42.0857 178.7860 109 A 3.9451 7.7215 120.2523 55.3170 16.7608 179.8628 110 R 3.5613 8.1188 116.8670 59.0389 30.0571 179.5477 111 V 3.5481 7.8990 118.3627 65.8217 31.5886 177.8933 112 K 3.5780 8.1691 119.8213 59.4905 31.8021 178.3850 113 R 4.0831 7.3821 118.0890 57.6607 30.1712 177.5909 114 F 4.0198 6.8300 116.8121 59.8906 39.1512 177.9090 115 L 3.6074 7.2778 117.3903 57.0199 40.9582 178.5144 116 E 4.2196 7.8073 117.1686 57.1653 29.3212 177.0585 117 R 4.2899 7.6911 123.7400 56.2766 30.3674 176.0418 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 3 W 8.13 5.15 0.00 3.46 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 4 K 9.11 5.21 0.00 1.95 1.93 0.00 1.60 0.00 0.00 1.77 0.00 0.00 2.60 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.52 1.69 7.81 5 I 9.77 5.27 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.00 0.97 0.00 0.00 6 A 8.67 5.00 0.16 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 0.00 0.00 7 V 8.80 4.62 2.07 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 0.96 0.00 0.00 0.90 0.00 0.00 8 V 8.30 4.83 1.74 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 0.83 0.00 0.00 0.20 0.00 0.00 9 D 8.84 4.77 0.00 2.71 2.40 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 0.00 10 D 8.99 4.72 0.00 2.81 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 11 D 8.90 4.60 0.00 2.68 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 12 K 8.86 3.86 0.00 1.88 1.87 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.59 7.81 13 N 8.39 4.34 0.00 2.86 2.96 0.00 0.00 7.24 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 14 I 7.79 3.81 2.06 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.86 0.95 0.00 0.00 15 L 7.86 3.96 0.00 1.85 1.71 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.16 3.93 0.00 1.83 1.81 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.48 7.81 17 K 8.25 3.99 0.00 1.98 1.88 0.00 1.69 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.73 7.81 18 V 8.19 3.67 2.18 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 1.06 0.00 0.00 1.06 0.00 0.00 19 S 8.16 4.16 0.00 4.11 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 20 E 8.11 4.02 0.00 2.16 2.07 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 2.36 2.57 0.00 21 K 7.80 4.15 0.00 1.93 2.01 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.16 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.66 1.55 7.81 22 L 8.38 4.36 0.00 1.77 1.71 0.90 0.79 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 23 Q 8.17 4.14 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 24 Q 8.08 4.16 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.85 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 25 L 8.12 4.55 0.00 1.84 1.91 0.87 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 26 G 7.20 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 27 R 7.91 4.27 0.00 2.01 1.93 0.00 3.10 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 28 V 8.53 5.06 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 0.91 0.00 0.00 1.00 0.00 0.00 29 K 9.35 4.75 0.00 2.01 1.92 0.00 2.26 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.75 1.10 7.81 30 T 8.26 5.12 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 1.19 0.00 0.00 31 F 9.09 4.87 0.00 2.96 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 32 L 9.23 4.58 0.00 1.76 1.75 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.65 4.98 4.55 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 1.27 0.00 0.00 34 G 8.81 3.56 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 35 E 8.92 4.00 0.00 2.36 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 2.39 2.48 0.00 36 D 7.98 4.50 0.00 3.12 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 37 F 7.88 3.09 0.00 2.41 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 38 L 8.05 3.74 0.00 1.59 1.56 0.04 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 39 N 7.80 4.74 0.00 2.72 2.85 0.00 0.00 6.91 8.11 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 40 D 7.23 4.65 0.00 2.84 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 41 E 8.71 4.27 0.00 2.06 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 0.00 2.22 2.20 0.00 42 E 7.83 4.22 0.00 1.87 1.87 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 2.46 1.47 0.00 43 A 7.78 4.56 1.14 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 0.00 0.00 44 F 8.18 4.99 0.00 3.13 3.17 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 45 H 9.44 4.66 0.00 3.46 3.54 0.00 5.75 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.00 5.09 2.17 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 1.09 0.00 0.00 1.03 0.00 0.00 47 V 9.05 4.57 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 0.35 0.00 0.00 0.99 0.00 0.00 48 V 8.83 4.25 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 0.73 0.00 0.00 0.85 0.00 0.00 49 L 8.77 4.85 0.00 1.38 1.22 0.59 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.71 5.28 0.00 2.91 2.41 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 51 V 7.75 3.93 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 0.29 0.00 0.00 0.53 0.00 0.00 *53 L 7.91 4.36 0.00 1.99 1.67 0.87 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.40 0.00 2.06 2.12 0.00 3.70 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 2.08 0.00 55 D 8.22 4.52 0.00 2.70 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 7.78 4.75 0.00 2.90 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 57 S 8.84 4.95 0.00 3.95 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.50 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 59 Y 7.30 4.32 0.00 3.02 2.95 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 60 E 8.23 4.07 0.00 2.30 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 0.00 2.43 2.54 0.00 61 I 7.44 3.76 1.87 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.60 0.80 0.00 0.00 62 C 8.43 4.23 0.00 3.04 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 63 R 7.90 3.85 0.00 2.13 1.95 0.00 3.24 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.03 0.00 *65 I 7.69 4.11 2.05 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.21 0.94 0.00 0.00 66 K 7.93 3.68 0.00 1.88 1.84 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.62 1.53 7.81 67 E 8.01 4.32 0.00 1.97 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 2.32 2.56 0.00 68 T 7.73 4.46 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 1.18 0.00 0.00 69 R 8.67 4.68 0.00 1.78 1.95 0.00 3.13 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 70 P 0.00 4.18 0.00 2.07 2.28 0.00 3.71 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 1.91 1.91 0.00 71 E 7.88 3.85 0.00 1.99 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 2.21 2.24 0.00 72 T 7.55 4.06 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 1.36 0.00 0.00 73 W 9.10 4.56 0.00 3.24 2.60 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 74 V 9.19 4.77 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 0.92 0.00 0.00 0.89 0.00 0.00 75 I 8.56 4.89 1.83 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 1.54 0.70 0.86 0.00 0.00 76 L 8.52 4.43 0.00 1.13 1.04 1.03 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.66 4.74 0.00 1.36 1.23 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.30 4.91 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 0.89 0.00 0.00 79 L 8.57 4.18 0.00 1.82 1.79 0.92 0.69 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 80 L 7.90 4.20 0.00 1.87 1.83 1.01 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.63 4.81 0.00 3.86 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 82 D 7.87 4.65 0.00 3.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.70 4.34 0.00 2.73 2.76 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 84 E 8.16 3.96 0.00 2.12 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 0.00 2.39 2.44 0.00 85 S 8.65 4.19 0.00 4.07 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 0.00 86 V 7.52 2.08 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 0.94 0.00 0.00 0.55 0.00 0.00 87 L 8.20 4.11 0.00 1.81 1.89 0.90 0.83 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 88 K 8.32 3.86 0.00 1.58 0.90 0.00 1.55 0.00 0.00 1.51 0.00 0.00 2.13 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 1.49 7.81 89 G 7.98 3.89 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 0.00 0.00 0.00 90 F 8.06 4.28 0.00 3.16 3.11 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 0.00 0.00 0.00 0.00 91 E 8.51 4.04 0.00 2.04 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 0.00 2.35 2.53 0.00 92 A 7.72 4.35 1.46 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 0.00 0.00 0.00 93 G 8.09 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 94 A 7.66 4.11 1.16 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 0.00 0.00 95 D 8.79 5.03 0.00 2.66 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 96 D 7.78 4.97 0.00 3.19 2.61 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 97 Y 8.57 4.75 0.00 2.62 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 98 V 8.96 4.60 1.87 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 0.86 0.00 0.00 0.87 0.00 0.00 99 T 8.54 5.19 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 1.52 0.00 0.00 100 K 8.68 4.91 0.00 1.69 1.87 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.62 1.39 7.81 101 P 0.00 4.51 0.00 2.12 2.03 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 102 F 7.98 4.92 0.00 3.11 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 0.00 103 N 8.59 4.57 0.00 2.74 2.79 0.00 0.00 6.60 7.71 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 0.00 104 P 0.00 4.57 0.00 2.34 2.35 0.00 3.60 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 2.04 1.94 0.00 105 E 8.78 4.01 0.00 2.11 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 0.00 2.30 2.39 0.00 106 I 8.11 3.84 2.07 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 1.41 0.57 0.92 0.00 0.00 107 L 7.98 3.89 0.00 1.72 1.90 0.71 0.17 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 0.00 108 L 8.05 3.87 0.00 1.90 1.85 0.92 1.02 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 0.00 109 A 7.72 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 110 R 8.12 3.56 0.00 1.87 1.77 0.00 3.08 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.69 0.00 111 V 7.90 3.55 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 0.93 0.00 0.00 0.95 0.00 0.00 112 K 8.17 3.58 0.00 1.70 1.84 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.31 7.81 113 R 7.38 4.08 0.00 1.64 1.84 0.00 2.73 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.35 0.00 114 F 6.83 4.02 0.00 2.84 1.54 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 0.00 115 L 7.28 3.61 0.00 0.92 0.13 0.44 0.56 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 0.00 116 E 7.81 4.22 0.00 1.93 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 2.25 2.41 0.00 117 R 7.69 4.29 0.00 2.07 2.09 0.00 3.51 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.