NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.8896 8.3549 109.7268 46.0832 0.0000 174.3808 0 H 4.8276 8.8678 122.8233 54.3543 31.2643 171.3975 2 Y 4.6287 8.9513 121.1352 55.9174 42.4854 173.7279 3 V 4.6756 8.3844 126.7865 61.2900 34.6984 174.0224 4 T 4.9863 8.9280 124.9141 61.9547 70.9410 173.3087 5 I 4.5375 8.8633 128.4603 59.7972 39.0920 174.7710 6 V 4.7035 8.5589 128.4862 61.4197 33.6690 173.8698 7 Y 5.1948 9.3275 126.0622 56.3541 40.1437 174.4803 8 A 5.1575 9.2614 126.1122 50.1819 22.2106 174.6718 9 S 5.1405 8.7794 118.3189 56.8537 65.3066 173.2702 10 V 4.5464 8.5247 125.5684 60.6126 33.3841 175.7212 11 K 4.2429 9.1775 126.8885 56.6965 32.5127 178.4937 12 T 3.8345 8.7820 113.9985 64.1611 68.8061 174.5461 13 D 4.6984 7.9611 119.2332 53.1131 39.9758 176.5453 14 K 4.2041 8.0000 118.8748 56.2829 33.1012 178.0908 15 T 4.0139 7.8966 112.8852 64.9182 68.7996 176.3761 16 E 3.9448 8.1142 120.7820 59.0618 29.5790 179.0134 17 A 3.8497 7.6322 120.2942 54.8805 18.3567 179.1668 18 F 4.3194 8.2815 119.5487 61.3558 39.4723 177.0547 19 K 3.7529 8.3139 119.4251 59.5557 31.7580 178.1710 20 E 3.8955 7.9680 117.6557 59.4099 29.6818 178.3425 21 A 4.2466 8.0255 119.3735 55.5384 18.7338 179.4552 22 T 4.0873 8.0939 114.4444 66.3207 68.3978 176.7797 23 R 3.8440 8.2873 119.5318 57.4605 30.6327 177.2937 *25 N 4.4781 8.0506 116.1519 53.5145 40.8281 175.5691 26 H 3.8816 8.6150 117.4772 59.5967 29.6406 176.9498 27 E 3.8748 8.2665 118.9910 59.3888 29.3930 178.9935 28 Q 4.0194 7.6629 117.3084 58.4221 29.0427 178.3751 29 S 4.4108 8.0651 118.1882 60.5811 62.4849 176.2183 30 I 4.1644 7.1705 115.4770 62.1462 37.4180 177.2646 31 R 4.3312 7.1584 118.8006 55.2813 30.8022 176.1104 32 E 4.2233 7.6394 120.3969 55.0122 30.2567 174.6631 33 P 4.2566 0.0000 0.0000 64.4706 31.8979 176.9128 34 G 4.2334 8.9626 110.4410 46.5598 0.0000 172.9310 35 N 4.1086 7.9239 118.2848 53.3198 39.7637 173.4436 *37 R 4.1453 8.0754 118.8669 55.5602 31.8682 175.5456 38 F 4.8089 8.0062 121.6975 57.2904 38.4413 174.3262 39 D 4.6601 8.5694 120.7895 54.5483 42.5395 177.2813 40 I 4.9206 8.3667 123.3745 59.6529 39.1849 174.9516 41 L 4.9613 9.2727 127.0280 52.8309 45.6341 175.1870 42 Q 4.6444 8.5094 122.8154 53.8039 31.1274 175.0598 43 S 4.1289 8.7052 121.9966 58.7329 62.3065 174.3535 44 A 4.1268 8.6904 129.6816 55.1985 18.5372 178.5145 45 D 4.4016 7.9656 114.7524 56.9062 41.3286 176.2211 46 D 4.3861 7.9129 118.9915 52.5046 43.1230 173.7656 47 P 4.1987 0.0000 0.0000 64.6282 31.6636 176.8017 48 T 4.4383 8.4065 109.6238 62.2258 70.2438 174.1853 49 R 5.1170 7.9972 123.1299 54.8224 32.5303 175.3127 50 F 5.3473 9.5404 121.4825 55.7400 43.9486 173.8787 51 V 4.8901 9.0150 119.5001 61.2307 35.1400 174.1826 52 L 4.9068 8.9172 127.4641 53.3154 44.1522 175.1334 53 Y 4.4843 8.8720 127.6417 56.3543 39.6993 174.1125 54 E 4.2777 8.7241 127.9669 54.4837 31.2757 174.8589 55 A 5.0541 8.3640 127.1665 50.1382 21.2114 174.9412 56 Y 4.8852 9.1339 119.4656 55.8549 42.1228 176.8424 57 K 4.1905 9.2651 121.7426 59.4884 32.8595 177.5646 58 T 4.7459 7.9174 107.5124 58.6053 72.1798 174.3434 59 R 2.5100 8.4172 121.7143 59.0214 29.7156 178.3511 60 K 3.6822 7.7871 118.7762 59.7086 32.0152 178.2516 61 D 4.1434 7.7428 118.4369 57.1757 40.4761 178.6273 62 A 2.9716 7.0751 119.6305 54.6559 18.4683 179.1995 63 A 3.8723 7.8954 119.2948 55.2429 18.4655 179.6832 64 A 3.8265 7.9655 119.4265 55.4000 18.3832 179.0596 65 H 3.9736 7.8164 116.7854 59.5403 29.6595 177.0484 66 K 3.1326 7.3179 117.1370 57.3118 32.0028 177.3220 67 E 4.4771 7.6592 118.1000 56.3546 30.4380 177.0038 68 T 4.1071 7.5088 111.1512 60.9667 70.8255 175.0180 69 A 4.0103 8.6390 125.8024 55.9362 18.4575 179.9417 70 H 4.1765 8.1690 112.9876 58.8142 28.6221 176.9975 71 Y 4.0830 7.6632 122.1510 60.6223 38.6965 178.0645 72 L 3.8602 8.1206 119.8470 57.9420 41.6529 179.7536 73 T 3.7897 8.1882 115.9034 66.2668 68.4315 176.3234 74 W 4.0394 8.1681 130.1325 60.4878 30.2824 177.5919 75 R 3.3927 8.2835 118.7587 59.7357 29.1820 178.2138 76 D 4.0138 7.6703 116.7861 57.3672 40.7821 178.7003 77 T 3.6194 7.4563 115.6911 66.1028 68.7109 176.4545 78 V 2.7893 6.8202 111.5875 60.7171 31.5487 177.8195 79 A 3.6954 6.5105 122.4710 55.2683 18.2168 178.4388 80 D 4.6838 7.4871 111.7850 54.4463 41.5592 177.4825 81 W 4.7716 7.8204 122.0238 55.0291 28.0472 176.0392 *83 A 4.4542 7.8011 122.8227 51.3994 20.3842 176.6927 84 E 4.7968 7.5835 110.7686 53.6287 32.9538 173.3735 85 P 4.3721 0.0000 0.0000 62.5396 31.8742 176.9192 86 R 4.4570 8.5804 121.4406 56.5712 31.0871 176.0434 87 K 4.7230 9.1817 121.6906 54.5959 35.3823 175.2022 88 G 4.5536 8.9329 111.7069 44.4284 0.0000 172.6084 89 V 4.5980 8.9896 124.5703 61.0441 34.4489 174.1621 90 I 4.7264 8.1965 128.2025 60.3085 38.6272 174.6124 91 Y 4.6525 9.0306 123.1946 56.1791 42.5127 174.3110 92 G 4.2571 8.7257 108.5314 44.5615 0.0000 173.3008 93 G 3.9708 8.5054 111.2075 45.4506 0.0000 174.5247 94 L 3.9822 8.6695 126.3380 56.9465 42.2774 177.1358 95 Y 4.8166 7.3851 113.5067 55.1618 41.8359 173.2475 96 P 4.5555 0.0000 0.0000 63.2286 32.2035 176.2366 97 T 3.8659 8.3294 112.6343 62.1729 67.3067 174.1601 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 G 8.35 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 0 H 8.87 4.83 0.00 3.08 3.35 0.00 5.60 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 Y 8.95 4.63 0.00 3.09 2.82 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 3 V 8.38 4.68 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 0.26 0.00 0.00 0.79 0.00 0.00 4 T 8.93 4.99 4.26 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 1.30 0.00 0.00 5 I 8.86 4.54 1.94 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.86 0.47 0.00 0.00 6 V 8.56 4.70 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 1.27 0.00 0.00 0.96 0.00 0.00 7 Y 9.33 5.19 0.00 2.96 2.94 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 0.00 0.00 0.00 0.00 8 A 9.26 5.16 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 9 S 8.78 5.14 0.00 3.80 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 10 V 8.52 4.55 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 0.74 0.00 0.00 -0.03 0.00 0.00 11 K 9.18 4.24 0.00 1.73 1.73 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.53 7.81 12 T 8.78 3.83 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 13 D 7.96 4.70 0.00 2.74 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 14 K 8.00 4.20 0.00 1.72 1.17 0.00 0.61 0.00 0.00 1.28 0.00 0.00 2.84 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.16 1.28 7.81 15 T 7.90 4.01 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 16 E 8.11 3.94 0.00 1.94 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 2.42 2.32 0.00 17 A 7.63 3.85 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.28 4.32 0.00 3.27 3.12 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 19 K 8.31 3.75 0.00 2.02 2.03 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.54 7.81 20 E 7.97 3.90 0.00 2.02 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 2.36 2.43 0.00 21 A 8.03 4.25 1.45 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 0.00 0.00 22 T 8.09 4.09 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 1.16 0.00 0.00 23 R 8.29 3.84 0.00 1.94 2.12 0.00 3.14 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 *25 N 8.05 4.48 0.00 2.68 2.74 0.00 0.00 6.71 7.89 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 26 H 8.62 3.88 0.00 3.36 3.54 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.27 3.87 0.00 1.90 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 2.37 2.57 0.00 28 Q 7.66 4.02 0.00 1.60 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 29 S 8.07 4.41 0.00 2.72 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 30 I 7.17 4.16 1.79 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 1.58 1.28 0.80 0.00 0.00 31 R 7.16 4.33 0.00 1.85 1.95 0.00 3.11 0.00 0.00 3.16 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 32 E 7.64 4.22 0.00 2.29 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 2.40 2.53 0.00 33 P 0.00 4.26 0.00 2.06 2.03 0.00 3.72 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 2.04 2.11 0.00 34 G 8.96 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 35 N 7.92 4.11 0.00 2.74 2.68 0.00 0.00 7.00 6.95 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 *37 R 8.08 4.15 0.00 1.89 2.01 0.00 3.24 0.00 0.00 3.42 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.77 0.00 38 F 8.01 4.81 0.00 2.85 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 39 D 8.57 4.66 0.00 2.75 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.37 4.92 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.92 1.04 0.00 0.00 41 L 9.27 4.96 0.00 1.57 1.52 0.83 0.55 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 42 Q 8.51 4.64 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.88 0.00 0.00 0.00 0.00 0.00 1.96 1.52 0.00 43 S 8.71 4.13 0.00 3.83 3.94 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 0.00 0.00 0.00 0.00 44 A 8.69 4.13 1.26 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 0.00 0.00 45 D 7.97 4.40 0.00 2.66 2.72 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 46 D 7.91 4.39 0.00 2.60 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.20 0.00 2.18 2.11 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 48 T 8.41 4.44 4.51 0.00 0.00 0.00 0.00 0.00 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 49 R 8.00 5.12 0.00 1.74 1.89 0.00 3.27 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 50 F 9.54 5.35 0.00 3.02 3.22 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 0.00 51 V 9.02 4.89 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 0.97 0.00 0.00 0.77 0.00 0.00 52 L 8.92 4.91 0.00 1.48 1.17 1.24 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 8.87 4.48 0.00 2.93 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 54 E 8.72 4.28 0.00 1.80 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 0.00 1.47 1.85 0.00 55 A 8.36 5.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 9.13 4.89 0.00 2.93 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 57 K 9.27 4.19 0.00 1.90 1.93 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.64 1.59 7.81 58 T 7.92 4.75 4.19 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 0.00 0.00 0.00 1.22 0.00 0.00 59 R 8.42 2.51 0.00 1.48 1.70 0.00 3.19 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.94 0.00 60 K 7.79 3.68 0.00 1.75 1.70 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.45 7.81 61 D 7.74 4.14 0.00 2.78 2.71 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 62 A 7.08 2.97 1.05 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 0.00 0.00 63 A 7.90 3.87 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 64 A 7.97 3.83 1.26 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 0.00 0.00 65 H 7.82 3.97 0.00 3.16 3.32 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.32 3.13 0.00 1.61 1.55 0.00 1.60 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.41 1.09 7.81 67 E 7.66 4.48 0.00 2.03 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 2.23 2.15 0.00 68 T 7.51 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 1.27 0.00 0.00 69 A 8.64 4.01 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 70 H 8.17 4.18 0.00 3.36 3.75 0.00 5.47 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 7.66 4.08 0.00 2.84 3.07 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 72 L 8.12 3.86 0.00 1.86 1.68 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.19 3.79 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 1.21 0.00 0.00 74 W 8.17 4.04 0.00 3.40 3.30 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 75 R 8.28 3.39 0.00 1.27 1.70 0.00 3.15 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 1.44 1.60 0.00 76 D 7.67 4.01 0.00 2.55 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 7.46 3.62 4.06 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 0.87 0.00 0.00 78 V 6.82 2.79 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 0.25 0.00 0.00 -0.23 0.00 0.00 79 A 6.51 3.70 1.05 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 0.00 0.00 80 D 7.49 4.68 0.00 2.58 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 81 W 7.82 4.77 0.00 3.49 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 *83 A 7.80 4.45 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 84 E 7.58 4.80 0.00 2.10 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 2.23 2.30 0.00 85 P 0.00 4.37 0.00 2.10 2.06 0.00 3.71 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 2.05 2.13 0.00 86 R 8.58 4.46 0.00 1.85 2.07 0.00 3.56 0.00 0.00 3.59 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 87 K 9.18 4.72 0.00 1.85 1.78 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.42 7.81 88 G 8.93 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 0.00 0.00 0.00 0.00 89 V 8.99 4.60 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.12 0.00 0.00 90 I 8.20 4.73 1.72 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.68 0.56 0.00 0.00 91 Y 9.03 4.65 0.00 2.67 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 92 G 8.73 4.26 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 0.00 0.00 0.00 93 G 8.51 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 0.00 0.00 0.00 94 L 8.67 3.98 0.00 1.46 1.13 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 7.39 4.82 0.00 2.98 2.82 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 96 P 0.00 4.56 0.00 2.21 2.11 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 97 T 8.33 3.87 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.