NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.1012 8.2993 119.9880 56.8568 33.8135 175.3991 12 F 4.2801 7.8309 114.5333 56.1574 38.1817 180.3031 13 R 2.9491 8.1498 114.4655 53.1632 34.1525 177.8990 14 V 3.5863 7.0171 128.1838 64.0210 32.6111 174.1542 15 R 3.5329 7.0946 113.0177 57.5381 26.3827 175.0416 16 N 4.7665 7.5385 120.5153 53.0378 39.4138 177.8170 17 R 3.9888 7.7326 114.8806 57.8920 29.5687 177.5689 18 I 4.1309 7.5289 118.3862 62.2448 37.1842 175.4743 19 K 4.3202 8.0839 122.0007 56.4035 31.9375 176.2687 20 R 4.3181 7.2716 116.0065 54.8372 30.0020 177.2054 21 T 4.3256 7.9040 121.1022 65.7118 70.1004 172.4411 22 G 3.6328 9.9350 125.2830 45.5880 0.0000 171.9154 23 R 3.1067 8.6517 117.1384 57.0966 29.4761 175.7748 24 L 3.6322 8.0178 116.8108 55.7857 38.1267 174.4535 25 R 4.1668 8.3652 123.8042 55.7104 32.2869 175.4024 26 L 5.2513 7.6264 120.7109 53.9704 42.4147 174.6684 27 S 4.7501 7.9376 119.6945 58.1161 65.0095 173.3493 28 V 4.7456 7.2723 117.9402 63.5714 33.9574 172.6388 29 F 4.7510 8.4502 115.9138 58.2994 41.3086 173.4263 30 R 4.5568 8.9500 130.3840 54.5233 28.5673 175.2695 31 S 3.8040 7.5588 116.3390 57.0836 63.3375 174.1926 32 L 4.0609 8.5280 126.2633 57.9918 41.2642 178.7297 33 K 4.0933 7.6870 117.9084 58.3495 32.6916 177.0492 34 H 5.2008 7.4422 117.6872 54.8829 30.7447 172.6880 35 I 4.9517 7.8832 119.5223 61.3528 41.3937 174.8370 36 Y 4.9049 10.0251 126.5360 55.7846 41.8968 174.0642 37 A 5.5526 7.5854 127.2340 52.5261 21.2313 176.1371 38 Q 4.7985 7.7175 119.8504 55.1624 33.5266 174.4587 39 I 4.8444 8.1788 122.4732 61.8725 40.7320 174.1979 40 I 5.1559 8.2994 127.2190 58.6731 41.4074 174.4071 41 D 4.8837 8.1656 121.9536 53.1068 44.5626 175.1165 42 D 4.7605 8.6537 125.9435 54.5696 42.2050 176.6834 43 E 4.1647 8.9912 117.9603 56.8591 28.0432 175.8986 44 K 4.3769 7.7963 114.0846 54.7367 35.2685 176.4119 45 G 4.0110 7.8163 106.9737 46.6682 0.0000 172.8178 46 V 4.4756 7.0052 116.5594 61.1225 35.9463 175.5498 47 T 4.5727 8.5029 123.3233 63.2550 68.1128 174.6205 48 L 4.3222 8.9337 127.5926 56.3122 42.5032 176.6067 49 V 4.5001 6.9502 116.9695 62.5102 34.6747 172.3576 50 S 4.7464 8.2270 112.6076 58.1575 64.7621 176.3475 51 A 4.2608 8.3800 121.4019 52.0913 22.6976 175.9019 52 S 5.0462 8.4350 122.0044 57.2745 65.9678 172.7892 53 S 4.4899 7.4105 116.1070 58.8575 61.6985 178.5595 54 L 3.6912 8.4195 123.0565 57.3859 41.8121 177.9136 55 A 3.9300 7.6738 120.6714 54.4469 18.4787 177.3229 56 L 4.4961 8.3479 118.2888 55.5557 42.3823 176.8607 57 K 3.6912 8.1133 113.4716 56.5216 31.0464 175.1953 58 L 3.9978 7.6513 120.3040 54.2417 42.4433 175.9029 59 K 3.8695 8.3422 122.8311 56.8159 32.5139 175.9157 60 G 4.1000 8.2601 108.5850 45.4481 0.0000 172.6704 61 N 5.0304 7.7921 115.9144 51.0506 43.3445 173.7787 62 K 3.8449 8.3444 122.1617 57.9120 30.7397 179.1652 63 T 3.8449 8.8850 115.1259 65.7976 69.8118 177.0171 64 E 3.8282 8.0545 121.6050 58.6076 30.1861 179.6908 65 V 3.4658 7.5756 116.6948 66.2623 31.4470 177.4771 66 A 4.1869 8.6346 118.7141 53.7082 18.0645 178.1670 67 R 4.1891 8.4733 116.1560 58.2117 30.6909 177.7943 68 Q 3.9269 8.1000 116.9229 59.5127 28.7516 179.5688 69 V 3.8931 8.2581 120.1137 65.7282 31.0876 177.3554 70 G 3.8159 8.7034 107.8332 46.2851 0.0000 174.7723 71 R 4.0568 7.6459 119.9040 57.0323 30.8215 178.3558 72 A 4.2018 8.0846 121.7151 54.5966 19.3169 179.3916 73 L 3.9419 7.9184 118.5058 57.9676 42.0718 179.1496 74 A 3.9682 7.9018 120.3917 55.0611 18.3337 178.5580 75 E 3.8541 7.5871 116.5474 60.3036 29.9335 178.6419 76 K 3.7117 8.1850 116.7136 60.3744 32.2474 178.5311 77 A 4.2149 8.2468 120.8469 55.4677 18.2741 179.2780 78 L 4.3887 8.1660 116.7541 56.1267 41.5488 178.3783 79 A 4.4355 8.2913 121.5114 53.9392 19.4536 178.6173 80 L 4.2208 7.5986 114.1170 55.7696 41.8441 178.0424 81 G 4.0094 7.7705 108.0574 45.0115 0.0000 174.3723 82 I 3.9236 7.4767 120.8380 61.1494 37.4670 174.6314 83 K 4.5588 7.8769 121.6197 55.6658 34.6734 175.1285 84 Q 4.9388 7.8846 118.4000 55.1848 31.8529 176.0254 85 V 4.2820 7.8097 115.0626 60.5383 37.2137 174.0681 86 A 4.7414 8.4559 127.6040 51.6542 22.4218 176.0780 87 F 4.5973 8.7721 123.0775 57.2569 41.7519 175.3887 88 D 4.2613 6.0500 122.7522 52.3425 42.9992 173.5852 89 R 3.9274 7.6502 127.0901 54.9478 31.1725 174.4802 90 G 3.5755 8.3520 115.8536 47.8328 0.0000 172.3713 91 P 4.4809 0.0000 0.0000 63.5929 30.9859 178.7334 92 Y 3.9640 8.0766 115.6557 58.4584 38.8063 176.7946 93 K 3.1759 6.1497 121.5879 61.1642 30.3685 177.3028 94 Y 3.9253 5.3700 119.3430 57.8782 37.0040 173.4102 95 H 4.2276 8.2162 124.9479 56.6290 33.8635 175.9311 96 G 3.5304 7.0917 109.5218 46.3396 0.0000 174.4289 97 R 3.7282 8.2419 117.3835 56.2710 29.8983 177.5044 98 V 3.4189 9.4672 118.8555 63.9122 31.8272 176.8364 99 K 5.1467 8.8298 124.5108 56.3744 31.1680 175.7018 100 A 4.0659 7.9445 126.3316 51.8107 17.6651 177.4507 101 L 4.9200 7.7952 119.1819 53.5027 45.1922 177.5473 102 A 4.1342 9.2102 124.6666 53.0460 17.9207 181.0666 103 E 3.3286 10.2930 119.4571 58.9067 30.4776 178.5035 104 G 3.9889 7.6896 115.3649 45.7979 0.0000 175.7836 105 A 4.4616 8.2810 130.7068 51.5614 17.9227 178.8797 106 R 3.9718 8.7933 124.0913 59.8243 30.3738 177.2416 107 E 4.1064 8.1511 113.4001 56.6087 29.9272 173.7491 108 G 3.7187 8.2044 107.9348 46.5288 0.0000 174.0481 *109 G 3.7078 7.8703 110.2822 45.6651 0.0000 172.3152 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 11 K 8.30 4.10 0.00 1.68 1.75 0.00 1.51 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.33 7.81 12 F 7.83 4.28 0.00 3.22 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 13 R 8.15 2.95 0.00 2.07 2.29 0.00 3.16 0.00 0.00 3.18 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 14 V 7.02 3.59 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 0.85 0.00 0.00 1.09 0.00 0.00 15 R 7.09 3.53 0.00 1.94 2.24 0.00 3.24 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 16 N 7.54 4.77 0.00 2.88 3.03 0.00 0.00 5.86 7.66 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 17 R 7.73 3.99 0.00 1.94 2.12 0.00 2.92 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 18 I 7.53 4.13 1.86 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 1.28 0.55 0.90 0.00 0.00 19 K 8.08 4.32 0.00 1.77 1.79 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.39 7.81 20 R 7.27 4.32 0.00 1.89 1.85 0.00 3.34 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 21 T 7.90 4.33 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 22 G 9.93 3.63 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 0.00 0.00 0.00 23 R 8.65 3.11 0.00 1.88 1.91 0.00 3.36 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 24 L 8.02 3.63 0.00 1.81 1.67 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.37 4.17 0.00 1.88 1.79 0.00 3.07 0.00 0.00 3.04 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.49 0.00 26 L 7.63 5.25 0.00 1.74 1.49 1.18 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.94 4.75 0.00 3.79 3.74 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 28 V 7.27 4.75 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 1.07 0.00 0.00 0.78 0.00 0.00 29 F 8.45 4.75 0.00 2.90 2.86 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 30 R 8.95 4.56 0.00 1.86 1.93 0.00 3.36 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 31 S 7.56 3.80 0.00 3.21 3.73 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 32 L 8.53 4.06 0.00 1.65 1.72 0.94 0.90 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 33 K 7.69 4.09 0.00 1.64 1.59 0.00 1.68 0.00 0.00 1.49 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.43 7.81 34 H 7.44 5.20 0.00 3.28 3.03 0.00 5.71 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.88 4.95 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 1.42 1.41 0.89 0.00 0.00 36 Y 10.03 4.90 0.00 3.08 2.99 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 37 A 7.59 5.55 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 38 Q 7.72 4.80 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 39 I 8.18 4.84 1.89 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 1.38 1.57 0.97 0.00 0.00 40 I 8.30 5.16 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 1.21 1.74 0.93 0.00 0.00 41 D 8.17 4.88 0.00 2.74 2.45 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 0.00 42 D 8.65 4.76 0.00 2.81 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 43 E 8.99 4.16 0.00 2.14 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 0.00 2.18 2.31 0.00 44 K 7.80 4.38 0.00 1.69 1.78 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.50 7.81 45 G 7.82 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 0.00 0.00 0.00 46 V 7.01 4.48 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 1.01 0.00 0.00 0.99 0.00 0.00 47 T 8.50 4.57 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 1.28 0.00 0.00 48 L 8.93 4.32 0.00 1.62 1.72 0.92 0.95 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 49 V 6.95 4.50 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 0.73 0.00 0.00 0.94 0.00 0.00 50 S 8.23 4.75 0.00 3.88 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 51 A 8.38 4.26 1.20 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 52 S 8.43 5.05 0.00 3.54 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 53 S 7.41 4.49 0.00 3.84 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 54 L 8.42 3.69 0.00 1.32 0.71 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.67 3.93 1.08 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 56 L 8.35 4.50 0.00 1.54 1.71 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.11 3.69 0.00 1.86 1.83 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.48 7.81 58 L 7.65 4.00 0.00 1.50 1.56 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.34 3.87 0.00 1.72 1.72 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.48 1.46 7.81 60 G 8.26 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 61 N 7.79 5.03 0.00 2.64 2.75 0.00 0.00 7.25 6.68 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 62 K 8.34 3.84 0.00 1.93 1.55 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.23 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.50 7.81 63 T 8.89 3.84 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 1.16 0.00 0.00 64 E 8.05 3.83 0.00 2.08 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 2.39 2.40 0.00 65 V 7.58 3.47 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 0.97 0.00 0.00 0.95 0.00 0.00 66 A 8.63 4.19 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.47 4.19 0.00 1.90 1.93 0.00 3.13 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 68 Q 8.10 3.93 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 69 V 8.26 3.89 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 0.81 0.00 0.00 1.01 0.00 0.00 70 G 8.70 3.82 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 0.00 0.00 0.00 71 R 7.65 4.06 0.00 2.05 2.00 0.00 3.11 0.00 0.00 3.17 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 72 A 8.08 4.20 1.37 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 0.00 0.00 73 L 7.92 3.94 0.00 1.91 1.71 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.90 3.97 1.39 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 75 E 7.59 3.85 0.00 2.06 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 2.34 2.39 0.00 76 K 8.19 3.71 0.00 2.06 1.81 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.68 7.81 77 A 8.25 4.21 1.32 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 0.00 0.00 78 L 8.17 4.39 0.00 1.83 1.75 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.29 4.44 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 80 L 7.60 4.22 0.00 1.78 1.74 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.77 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 0.00 0.00 0.00 82 I 7.48 3.92 1.98 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 1.19 1.10 0.93 0.00 0.00 83 K 7.88 4.56 0.00 1.73 1.54 0.00 1.71 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.40 7.81 84 Q 7.88 4.94 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.47 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 85 V 7.81 4.28 2.32 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 0.68 0.00 0.00 0.99 0.00 0.00 86 A 8.46 4.74 1.20 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 87 F 8.77 4.60 0.00 3.10 3.10 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 88 D 6.05 4.26 0.00 2.39 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 89 R 7.65 3.93 0.00 2.03 2.13 0.00 3.46 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.97 0.00 90 G 8.35 3.58 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 0.00 0.00 0.00 91 P 0.00 4.48 0.00 1.94 1.44 0.00 3.77 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.71 0.00 92 Y 8.08 3.96 0.00 3.24 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 93 K 6.15 3.18 0.00 1.93 1.81 0.00 1.57 0.00 0.00 1.57 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.25 1.35 7.81 94 Y 5.37 3.93 0.00 2.90 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 95 H 8.22 4.23 0.00 2.93 3.22 0.00 6.10 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 96 G 7.09 3.53 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 0.00 0.00 0.00 97 R 8.24 3.73 0.00 1.90 2.01 0.00 3.14 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 98 V 9.47 3.42 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 0.78 0.00 0.00 0.59 0.00 0.00 99 K 8.83 5.15 0.00 1.82 1.89 0.00 1.99 0.00 0.00 2.60 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.59 7.81 100 A 7.94 4.07 1.25 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 0.00 0.00 0.00 101 L 7.80 4.92 0.00 1.70 1.64 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 102 A 9.21 4.13 1.13 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 0.00 0.00 103 E 10.29 3.33 0.00 2.07 2.00 0.00 0.00 0.00 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 2.25 0.00 104 G 7.69 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 0.00 105 A 8.28 4.46 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 0.00 106 R 8.79 3.97 0.00 1.71 2.03 0.00 3.44 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.82 0.00 107 E 8.15 4.11 0.00 2.00 2.29 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 2.13 2.29 0.00 108 G 8.20 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 0.00 0.00 0.00 *109 G 7.87 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.