NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6103 8.4201 118.2185 52.8536 38.5803 174.3859 0 A 4.2635 8.1707 121.0560 49.4366 17.0544 175.6463 2 T 4.5276 8.1089 106.2999 61.9260 73.9950 172.7336 3 G 4.1149 7.6541 111.5995 42.9143 0.0000 171.0019 4 P 4.5120 0.0000 0.0000 62.4326 31.7935 177.3291 5 K 4.3016 8.2614 119.1621 55.8353 30.2408 177.2023 6 Q 4.3456 8.0846 121.6145 55.3172 29.8995 175.6104 7 Q 4.4402 8.0936 118.5569 54.1026 30.0955 174.5677 8 P 4.5094 0.0000 0.0000 61.6716 32.2200 176.2999 9 L 4.0152 8.3181 120.0973 54.4855 42.2674 175.9187 10 P 4.3519 0.0000 0.0000 62.1058 31.7462 175.6670 11 P 4.6895 0.0000 0.0000 65.0246 31.3879 178.0811 12 D 4.4696 7.9727 115.5194 54.9051 39.9945 177.0900 13 V 3.8957 7.7395 119.9263 64.3067 32.1997 175.8194 14 E 4.1412 7.7354 120.0526 57.7639 29.5470 177.9814 15 G 3.8910 8.8342 110.7176 45.7618 0.0000 173.4624 16 R 4.3782 7.7730 120.3434 54.1392 29.8347 176.7908 17 E 3.9762 8.8385 122.8321 59.0923 29.4326 177.9382 18 D 4.4917 7.9418 115.8526 53.5995 40.2166 176.0795 19 A 4.1695 7.6366 124.5227 51.9110 18.9327 176.8148 20 I 4.4195 8.0278 123.3861 59.0106 39.7990 174.9560 21 E 4.0698 8.7412 126.6272 55.9188 29.8704 176.4458 22 V 3.8609 8.5515 127.1472 65.5315 32.0440 175.2950 23 L 4.8263 7.2620 115.6704 54.8751 43.0123 174.5281 24 R 4.6975 8.8215 119.2370 54.3764 33.7941 174.2769 25 A 5.1913 8.3937 124.1884 50.1183 21.9865 175.0914 26 F 4.8560 9.4581 120.7423 55.4507 42.9087 174.4948 27 V 4.7629 8.4233 122.1593 60.2410 33.0208 175.2782 28 L 4.5198 8.8088 126.3756 54.9095 45.3024 175.2207 29 D 4.4265 9.8132 125.8174 55.6055 38.4107 174.3547 30 G 3.9566 9.1294 102.4345 45.9463 0.0000 174.0774 31 G 4.0764 8.0884 108.3216 44.3481 0.0000 171.7392 32 L 5.4176 8.3800 117.9850 52.9253 45.4598 176.2217 33 S 4.7393 9.2579 117.0697 56.6216 65.0337 172.6905 34 I 5.0479 8.5456 126.8884 59.3479 40.4991 174.5793 35 A 4.6349 8.9707 127.9371 50.0428 20.7932 174.7302 36 F 5.5286 8.8203 125.0029 57.4448 39.7123 177.7633 *38 R 4.4456 8.6712 121.5684 57.1216 31.4581 173.7634 39 A 4.3876 7.9181 119.8233 52.0149 19.1222 176.8862 40 F 4.9199 9.0155 122.7728 58.8712 40.4991 176.3989 41 E 3.7910 8.6976 118.6022 56.1061 27.7552 174.0152 42 D 4.3001 7.3345 118.3468 51.6829 42.9170 174.6751 43 P 4.6541 0.0000 0.0000 66.0191 31.6759 178.9862 44 E 3.9881 7.5353 119.7934 55.9048 28.6772 178.9553 *46 W 4.6941 8.2527 120.7078 56.7844 31.5552 178.2452 47 G 3.6617 8.3313 105.1143 47.6701 0.0000 175.4286 48 L 3.9362 8.1859 123.3235 57.7204 42.1174 178.7526 49 L 3.9029 7.8248 119.6584 58.1459 41.9785 178.7260 50 L 4.0030 8.1228 118.8507 57.8585 41.5252 179.6917 51 V 3.5366 7.8410 118.0207 66.0676 31.4343 177.7496 52 D 4.3410 8.3863 118.8960 57.4553 40.6329 178.9074 53 I 3.6948 7.8914 119.9642 64.3120 37.0794 178.3590 54 A 3.9797 8.2327 121.8713 55.2763 18.1775 179.9914 55 R 3.8509 8.3374 116.9431 59.4885 30.1687 178.6234 56 H 4.0532 8.4209 117.9122 59.3021 29.8056 177.0614 57 A 3.9744 8.4613 122.6351 55.1326 18.1178 179.4526 58 A 4.0705 8.2500 119.3297 55.3241 18.4488 180.0097 59 R 3.8705 8.1270 116.5746 59.7206 30.2896 179.5721 60 S 4.1549 8.0495 114.8308 61.6193 62.5416 176.1676 61 Y 4.3757 8.3446 121.7338 60.8101 38.6608 177.6267 62 A 4.2220 8.3024 121.0122 54.9336 18.4744 179.4204 63 R 4.0954 7.8039 116.0733 59.4489 30.2529 178.4294 64 E 4.6439 7.7069 115.0436 55.5437 30.1989 175.6841 65 S 4.4857 7.4315 112.9662 57.8017 65.4054 173.8059 66 E 4.1177 8.1912 118.2499 57.6233 29.5666 177.1137 67 Y 4.6459 7.0549 117.0577 57.5921 38.7019 176.2019 68 T 4.2302 8.8337 114.0891 61.3032 71.0079 175.6465 69 E 4.0006 8.6316 120.6912 59.6287 29.4298 179.3907 70 D 4.3077 8.0027 118.3040 57.4746 41.0110 178.5435 71 E 3.7926 8.1364 118.7647 59.2251 29.3838 179.2469 72 A 3.5450 8.2090 121.1771 54.9264 18.3607 179.4645 73 L 3.8740 8.1030 119.0216 58.1545 42.0882 178.5933 74 E 3.8767 8.1536 119.2703 59.4595 29.2864 179.0703 75 R 3.8826 7.6366 116.5599 59.3412 30.2159 178.7583 76 I 3.8989 7.7534 118.3491 64.4608 37.3323 178.3258 77 V 3.8819 8.0451 119.1415 65.9225 31.2722 178.2913 78 E 4.1467 8.2864 114.8756 57.2481 29.0895 178.4953 *80 F 4.7191 7.9527 122.8099 58.4342 41.4799 176.9855 81 E 3.7114 8.6817 120.0438 59.1297 28.9229 179.1339 82 A 3.9533 7.8737 119.8844 55.2783 18.7801 179.0566 83 E 3.9642 8.0134 117.3023 59.1965 29.5772 178.4878 84 L 3.7959 7.7575 120.0135 58.1022 42.0922 178.9298 85 S 4.2000 7.6763 113.7869 59.6826 62.9677 174.8659 86 R 3.9173 7.1918 122.5018 55.5047 30.2544 174.5085 87 P 4.3550 0.0000 0.0000 63.1356 32.3597 176.8111 88 T 4.5785 8.0306 111.6644 61.0832 68.4220 174.8540 89 D 4.4967 7.9222 121.7902 57.1326 41.8324 177.6528 90 T 4.3124 7.4413 109.7170 59.4992 67.9426 173.1840 *93 T 4.1594 7.6777 118.4212 62.3722 70.1990 174.0667 94 T 4.7860 8.1284 111.4521 60.0227 72.0307 172.8262 95 E 4.7573 8.4267 120.1646 54.5782 33.4793 175.1737 96 R 4.6038 8.4464 120.6134 54.7484 32.7509 174.5711 97 T 4.7400 8.3136 118.2020 60.5752 70.7242 173.2762 98 Q 4.1101 8.4377 124.8100 56.2989 29.8837 174.8995 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 N 8.42 4.61 0.00 2.83 2.95 0.00 0.00 5.99 6.38 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 A 8.17 4.26 1.30 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 0.00 0.00 0.00 2 T 8.11 4.53 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 1.21 0.00 0.00 3 G 7.65 4.11 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 0.00 0.00 0.00 4 P 0.00 4.51 0.00 2.43 2.11 0.00 3.76 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.80 0.00 5 K 8.26 4.30 0.00 1.81 1.84 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.49 7.81 6 Q 8.08 4.35 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.81 0.00 0.00 0.00 0.00 0.00 2.63 2.69 0.00 7 Q 8.09 4.44 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.04 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 8 P 0.00 4.51 0.00 2.03 1.97 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 9 L 8.32 4.02 0.00 1.62 1.61 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.35 0.00 2.26 1.95 0.00 3.59 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 2.08 2.08 0.00 11 P 0.00 4.69 0.00 2.16 2.10 0.00 3.85 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 12 D 7.97 4.47 0.00 2.77 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 13 V 7.74 3.90 2.22 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 0.95 0.00 0.00 0.91 0.00 0.00 14 E 7.74 4.14 0.00 2.20 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 2.33 2.44 0.00 15 G 8.83 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 16 R 7.77 4.38 0.00 1.99 2.04 0.00 3.30 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.80 0.00 17 E 8.84 3.98 0.00 2.07 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 2.28 2.26 0.00 18 D 7.94 4.49 0.00 2.79 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 19 A 7.64 4.17 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 20 I 8.03 4.42 1.85 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 1.30 0.87 0.92 0.00 0.00 21 E 8.74 4.07 0.00 1.93 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 2.31 2.29 0.00 22 V 8.55 3.86 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 0.74 0.00 0.00 0.73 0.00 0.00 23 L 7.26 4.83 0.00 1.54 1.78 1.02 0.56 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 24 R 8.82 4.70 0.00 1.85 1.88 0.00 3.28 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 25 A 8.39 5.19 1.10 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 26 F 9.46 4.86 0.00 3.05 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 27 V 8.42 4.76 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 0.70 0.00 0.00 1.01 0.00 0.00 28 L 8.81 4.52 0.00 1.75 1.52 0.91 0.97 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 29 D 9.81 4.43 0.00 2.83 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 30 G 9.13 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 31 G 8.09 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 0.00 0.00 0.00 32 L 8.38 5.42 0.00 1.52 1.57 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 33 S 9.26 4.74 0.00 3.85 3.71 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 34 I 8.55 5.05 1.70 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 1.20 0.78 0.09 0.00 0.00 35 A 8.97 4.63 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 36 F 8.82 5.53 0.00 3.12 2.88 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 *38 R 8.67 4.45 0.00 1.85 1.89 0.00 3.27 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.21 0.00 39 A 7.92 4.39 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 40 F 9.02 4.92 0.00 2.94 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 41 E 8.70 3.79 0.00 1.90 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 2.20 0.00 42 D 7.33 4.30 0.00 2.82 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.65 0.00 2.38 2.64 0.00 3.73 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 44 E 7.54 3.99 0.00 2.37 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 2.33 2.34 0.00 *46 W 8.25 4.69 0.00 3.65 3.37 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 0.00 47 G 8.33 3.66 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 0.00 0.00 0.00 48 L 8.19 3.94 0.00 1.70 1.60 1.01 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.82 3.90 0.00 1.68 1.88 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.12 4.00 0.00 1.92 1.66 1.02 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 51 V 7.84 3.54 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 1.10 0.00 0.00 0.97 0.00 0.00 52 D 8.39 4.34 0.00 2.84 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 53 I 7.89 3.69 1.88 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 1.45 0.78 0.93 0.00 0.00 54 A 8.23 3.98 1.30 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 0.00 0.00 0.00 55 R 8.34 3.85 0.00 1.91 1.99 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 56 H 8.42 4.05 0.00 3.29 3.52 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.46 3.97 1.40 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 0.00 0.00 58 A 8.25 4.07 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 59 R 8.13 3.87 0.00 2.01 1.97 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.78 0.00 60 S 8.05 4.15 0.00 3.98 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 61 Y 8.34 4.38 0.00 2.99 3.15 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 0.00 62 A 8.30 4.22 1.42 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 0.00 0.00 0.00 63 R 7.80 4.10 0.00 2.11 2.04 0.00 3.16 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 64 E 7.71 4.64 0.00 2.09 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 2.57 2.50 0.00 65 S 7.43 4.49 0.00 3.74 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 66 E 8.19 4.12 0.00 1.66 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 2.13 2.14 0.00 67 Y 7.05 4.65 0.00 2.72 2.64 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 68 T 8.83 4.23 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 1.22 0.00 0.00 69 E 8.63 4.00 0.00 2.03 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 0.00 2.41 2.41 0.00 70 D 8.00 4.31 0.00 2.66 2.69 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 0.00 0.00 0.00 0.00 71 E 8.14 3.79 0.00 2.10 1.68 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 2.30 2.31 0.00 72 A 8.21 3.55 1.30 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 0.00 0.00 0.00 73 L 8.10 3.87 0.00 1.84 1.80 0.90 1.09 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 74 E 8.15 3.88 0.00 2.07 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 2.26 2.42 0.00 75 R 7.64 3.88 0.00 2.00 2.08 0.00 3.28 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 1.29 0.93 0.00 76 I 7.75 3.90 2.03 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.68 0.93 0.00 0.00 77 V 8.05 3.88 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 0.90 0.00 0.00 78 E 8.29 4.15 0.00 2.26 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 2.35 2.51 0.00 *80 F 7.95 4.72 0.00 3.10 3.37 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 0.00 81 E 8.68 3.71 0.00 2.20 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 2.44 2.73 0.00 82 A 7.87 3.95 1.34 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 0.00 0.00 0.00 83 E 8.01 3.96 0.00 2.07 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 2.37 2.37 0.00 84 L 7.76 3.80 0.00 1.09 1.49 0.74 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.68 4.20 0.00 4.05 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 86 R 7.19 3.92 0.00 1.81 1.86 0.00 3.25 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 87 P 0.00 4.36 0.00 2.17 1.95 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 88 T 8.03 4.58 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 1.18 0.00 0.00 89 D 7.92 4.50 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 90 T 7.44 4.31 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 1.20 0.00 0.00 *93 T 7.68 4.16 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 1.21 0.00 0.00 94 T 8.13 4.79 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 1.21 0.00 0.00 95 E 8.43 4.76 0.00 1.92 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 2.20 2.27 0.00 96 R 8.45 4.60 0.00 1.69 1.77 0.00 3.23 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 97 T 8.31 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 1.21 0.00 0.00 98 Q 8.44 4.11 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.42 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.