NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.4593 8.4029 118.6730 56.0767 32.9904 176.0408 4 K 4.4358 8.1239 120.2671 54.1589 33.6808 179.4984 5 Y 4.6401 9.8305 123.5485 56.2639 41.4496 174.1923 6 I 4.0517 7.9971 128.3422 60.7273 38.0874 175.7744 7 V 4.0776 7.8618 128.0992 61.0927 32.8353 175.4098 8 T 4.1862 8.1401 118.3448 60.3245 70.4732 175.6291 9 W 4.3861 8.7881 122.8307 60.4000 29.0510 178.3736 10 D 4.4695 8.3084 118.0258 57.8549 40.3051 178.7894 11 M 4.0169 7.7133 117.7219 58.2271 31.9579 178.5695 12 L 4.0565 8.1950 120.6924 58.1848 42.3155 178.8735 13 Q 4.0704 8.3892 119.6880 59.0687 29.0803 178.1859 14 I 3.7267 7.5308 120.5358 64.6718 37.1506 178.1525 15 H 4.2399 8.0712 116.8947 58.7654 28.5133 177.7080 16 A 4.0263 8.0521 122.6533 55.2754 18.3046 179.9544 17 R 4.0175 8.1557 118.8750 59.7529 29.9025 180.0158 18 K 4.0338 7.7858 122.7632 59.6541 31.8553 181.3241 19 L 4.2516 8.0734 121.3018 57.8071 42.1063 178.8860 20 A 4.0306 8.0448 121.2216 55.1121 17.9008 179.7662 21 S 4.1755 8.0903 112.3337 61.3623 62.8611 176.5582 22 R 4.2088 7.5821 120.2630 57.7551 30.0465 177.5639 23 L 4.6852 7.4039 116.8097 54.1847 42.3644 176.7596 24 M 4.3546 7.0846 118.3156 54.5463 32.3175 174.6773 25 P 4.5661 0.0000 0.0000 62.0032 32.6182 177.9015 26 S 4.3972 8.5665 115.1551 61.4157 63.2450 176.2995 27 E 4.0220 8.0649 119.4802 58.5189 29.2515 177.2675 28 Q 4.0278 7.1756 114.9994 55.5961 28.7769 175.5392 29 W 5.2337 7.5680 120.1825 55.9248 31.9873 176.1562 30 K 4.0930 8.8237 123.1530 55.2838 32.4200 175.7801 31 G 3.9429 6.2677 102.3273 46.5571 0.0000 171.8512 32 I 5.1008 8.3664 119.6298 59.4996 41.4525 175.2268 33 I 4.8415 8.9274 127.4984 59.5349 39.2062 174.4000 34 A 4.7854 9.1961 130.7442 50.9478 20.3587 176.2965 35 V 4.1925 8.6791 123.7060 62.2208 32.5758 175.2783 36 S 4.5154 8.5581 124.1341 58.5349 62.6102 174.0744 37 R 4.3754 8.7234 124.4723 56.4788 31.7127 178.4127 38 G 3.8993 7.7703 106.0373 47.7643 0.0000 174.4503 39 G 3.9068 8.5334 107.2694 45.7066 0.0000 175.4923 40 L 3.8642 7.7540 121.1620 57.8070 41.7399 179.5447 41 V 3.6270 7.3412 117.4687 65.6578 31.6531 176.1862 42 P 4.4864 0.0000 0.0000 65.4931 31.2422 178.8812 43 G 3.5984 8.4607 104.6711 47.6028 0.0000 175.7025 44 A 4.0692 8.0029 123.1221 54.8943 18.3575 179.7942 45 L 3.9996 7.9482 117.4174 57.8583 41.7161 179.6612 46 L 3.9701 7.9577 118.7523 57.7831 41.6067 179.3958 47 A 4.1386 8.0567 120.6439 54.9195 18.2863 179.8009 48 R 3.8585 7.6272 117.2934 59.6384 30.0411 178.5799 49 E 4.0977 7.9802 117.0842 59.2542 29.6444 178.7164 50 L 4.3710 8.5190 116.5793 54.3986 42.0364 177.1803 51 G 3.8643 7.4021 105.5251 46.5271 0.0000 173.5233 52 I 4.2655 7.7291 120.8226 59.9035 37.9140 176.4086 53 R 4.2555 8.5168 123.8226 57.1579 30.9811 176.2778 54 H 4.6010 7.9823 118.6440 54.8559 29.6289 172.5834 55 V 4.8788 8.0917 123.2038 60.7428 33.8459 173.5307 56 D 5.1655 9.5934 126.7694 52.6731 45.3335 173.6645 57 T 5.7818 8.6025 110.1344 58.8302 72.6207 173.9727 58 V 4.4696 8.1145 120.5886 60.5371 34.5890 173.7608 59 A 4.5258 9.1371 131.5974 50.9468 20.4443 176.8112 60 I 4.5696 8.1189 121.9660 60.9515 38.0080 171.7388 61 S 4.5993 8.5220 114.3800 59.7289 66.1609 174.6476 62 S 4.8493 8.8384 125.5487 57.7089 62.3831 172.9758 *63 Y 4.4162 8.3027 124.6034 57.3340 39.9956 173.4647 *71 L 4.1708 7.4094 120.4441 53.4244 43.5350 179.2928 72 K 4.3524 7.9385 126.1245 55.0697 33.4179 179.5227 73 V 4.2382 8.3154 126.6031 59.1949 30.2061 172.3050 74 L 4.2365 8.7447 129.9140 57.6980 42.2185 178.3160 75 K 4.7675 7.9744 121.9162 54.9733 36.0607 177.3127 76 R 5.0747 8.2666 120.3904 55.5303 33.3556 175.3170 77 A 4.3004 8.6702 123.8621 51.8335 19.3333 177.6682 78 E 4.1483 8.3831 119.5808 56.8756 30.4568 177.4127 79 G 3.8946 8.7552 107.9211 45.1804 0.0000 172.7675 80 D 4.7902 8.6281 115.5578 52.9200 40.0251 177.0380 81 G 4.0419 8.3164 110.4456 47.2276 0.0000 173.7983 82 E 4.3884 8.0316 115.4836 56.7636 29.8311 179.9886 83 G 4.0970 9.3461 113.1255 44.3919 0.0000 172.3241 84 F 5.3618 7.9567 118.0316 55.3888 42.3009 174.6096 85 I 4.6734 8.0034 119.3221 59.6565 40.4730 174.9657 86 V 4.5511 8.3455 128.3948 61.8799 32.6292 174.5221 87 I 5.6349 8.5506 128.0589 58.5652 41.3417 173.5210 88 D 5.2349 8.3550 125.9905 52.6195 44.9814 175.4945 89 D 4.7625 8.9651 121.4567 56.2602 40.7118 175.7662 90 L 5.5369 7.5384 115.9577 55.3927 43.7970 175.6275 91 V 3.8993 8.0957 111.5676 60.0115 34.1383 175.5595 92 D 4.4527 9.2187 128.9142 55.5479 41.9841 177.6846 93 T 4.2027 7.6342 112.8845 62.2984 70.1851 178.0934 94 G 4.2560 8.4106 108.7089 45.0408 0.0000 175.4964 95 G 3.6654 8.0717 109.6066 48.1640 0.0000 175.2188 96 T 4.1440 7.8699 109.2068 63.4236 69.8747 176.7789 97 A 3.8113 7.8692 124.0426 54.6711 18.2733 179.5776 98 V 3.4725 7.7774 116.8663 66.1335 31.7453 178.1720 99 A 4.2724 7.9329 123.8567 55.3031 18.2657 180.1677 100 I 3.7544 7.3644 118.1336 65.0763 34.9540 181.1450 101 R 4.1289 7.7357 118.8777 59.2025 29.5345 178.9931 102 E 3.9951 7.8617 118.6818 59.4654 29.3351 179.1583 103 M 3.9719 7.5438 117.2514 56.9223 32.7377 176.4683 104 Y 5.0877 7.3713 117.0357 54.1185 38.4949 174.2888 105 P 4.4130 0.0000 0.0000 65.4500 31.9080 178.4772 106 K 4.4055 8.0913 115.7625 54.7026 31.8030 177.9098 107 A 5.0424 7.4571 120.0525 51.8962 20.0828 177.9048 108 H 4.7891 8.8626 121.4595 55.1297 30.4109 173.5589 109 F 5.1803 9.3701 129.5147 57.9243 40.3721 174.5858 110 V 5.2566 8.9931 119.0585 58.7381 36.2003 174.6012 111 T 5.5042 7.7513 111.2452 59.7334 72.4889 174.7098 112 I 3.6423 8.5158 121.9343 63.9767 37.9379 176.1268 113 F 5.3966 8.4364 120.2269 56.1250 42.1116 174.6626 114 A 4.6034 8.6475 122.0893 50.8717 22.5341 176.0213 115 K 5.0998 8.7108 122.4046 54.0190 34.4471 176.2363 116 P 4.0999 0.0000 0.0000 66.1955 31.0352 178.8485 117 A 4.2117 8.4576 117.9932 54.2408 18.7050 178.8737 118 G 3.8909 7.8911 102.2329 44.8652 0.0000 175.7351 119 R 3.7068 7.4020 120.2607 58.8328 29.9443 176.8696 120 P 4.5638 0.0000 0.0000 65.7191 31.5888 178.6030 121 L 4.2363 7.7735 121.4926 57.7001 41.1789 182.6315 122 V 4.6789 6.5664 108.4998 60.3236 33.3437 175.8264 123 D 4.6292 8.6945 122.6717 57.3501 41.5079 176.3515 124 D 4.6899 7.7826 114.7173 53.8745 44.5688 173.9750 125 Y 5.7093 7.9584 120.6349 57.0366 40.8693 173.7786 126 V 3.9791 8.5422 116.8493 64.0412 33.3464 175.5583 127 V 4.4714 7.9491 120.4732 61.0924 34.0952 173.6703 128 D 5.4055 8.7371 126.9130 53.2981 42.2376 175.8164 129 I 4.4413 8.2113 123.9809 58.4863 40.8783 173.9666 130 P 4.5400 0.0000 0.0000 62.3102 31.8898 177.4241 131 Q 3.9978 8.5484 121.7567 58.7028 29.1207 176.8729 132 D 4.6219 7.9128 115.1191 54.2138 40.3079 176.1136 133 T 4.5925 7.2871 117.3680 61.9490 69.5781 174.0433 134 W 4.4469 8.7767 135.0000 56.4224 32.3425 174.9728 135 I 4.3085 7.4138 128.7178 60.4044 37.2183 175.7128 136 E 4.2434 9.0314 131.0468 54.7052 29.6545 176.0405 137 Q 3.6838 7.9328 126.2558 54.3969 29.7086 176.1965 138 P 3.6585 0.0000 0.0000 64.9824 31.2805 178.5228 139 W 4.4991 6.4887 114.6169 58.4718 28.3519 176.2833 140 D 4.7472 7.3085 117.6261 54.5567 40.6585 175.2182 141 M 4.7946 6.9883 118.3191 53.6909 35.1681 174.4736 142 G 3.9661 7.8309 105.6834 45.3061 0.0000 173.9390 143 V 3.8979 8.4363 120.5242 62.0261 30.6218 175.5117 144 V 4.6001 7.8141 119.2943 58.6441 35.2174 175.5694 145 F 4.2053 8.8045 123.7183 58.2688 39.6237 174.3883 146 V 4.0286 7.3009 127.2238 59.8736 33.1718 173.4237 147 P 4.1512 0.0000 0.0000 61.8035 32.2414 174.4853 148 P 4.3728 0.0000 0.0000 62.4588 31.8076 177.8800 149 I 3.8613 8.2872 122.2881 63.1962 37.3894 176.1985 150 S 4.3475 7.4505 118.7992 58.1917 62.1479 173.3349 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 E 8.40 4.46 0.00 1.68 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 1.90 0.00 4 K 8.12 4.44 0.00 1.61 1.61 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.32 1.07 7.81 5 Y 9.83 4.64 0.00 2.84 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 6 I 8.00 4.05 1.67 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.83 0.75 0.00 0.00 7 V 7.86 4.08 1.71 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 0.84 0.00 0.00 0.52 0.00 0.00 8 T 8.14 4.19 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 1.13 0.00 0.00 9 W 8.79 4.39 0.00 3.42 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 10 D 8.31 4.47 0.00 2.72 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 11 M 7.71 4.02 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.66 0.00 12 L 8.20 4.06 0.00 1.76 1.95 1.09 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.39 4.07 0.00 2.41 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 14 I 7.53 3.73 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.18 0.89 0.00 0.00 15 H 8.07 4.24 0.00 3.21 3.14 0.00 5.62 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 16 A 8.05 4.03 1.44 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 0.00 0.00 17 R 8.16 4.02 0.00 2.06 1.99 0.00 3.14 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 18 K 7.79 4.03 0.00 1.89 1.73 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.32 7.81 19 L 8.07 4.25 0.00 1.71 1.82 0.88 0.73 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 20 A 8.04 4.03 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 21 S 8.09 4.18 0.00 4.11 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 0.00 22 R 7.58 4.21 0.00 1.92 2.04 0.00 3.28 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 23 L 7.40 4.69 0.00 1.89 1.95 0.75 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 24 M 7.08 4.35 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.87 0.00 25 P 0.00 4.57 0.00 2.06 2.00 0.00 3.44 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 26 S 8.57 4.40 0.00 4.21 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 0.00 27 E 8.06 4.02 0.00 1.87 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 2.28 2.33 0.00 28 Q 7.18 4.03 0.00 1.48 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.61 0.00 0.00 0.00 0.00 0.00 1.97 1.16 0.00 29 W 7.57 5.23 0.00 3.22 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 30 K 8.82 4.09 0.00 1.73 1.71 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.24 7.81 31 G 6.27 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 0.00 0.00 0.00 32 I 8.37 5.10 1.87 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 1.07 0.65 0.92 0.00 0.00 33 I 8.93 4.84 1.56 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.89 0.56 0.00 0.00 34 A 9.20 4.79 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 35 V 8.68 4.19 2.30 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 0.97 0.00 0.00 1.05 0.00 0.00 36 S 8.56 4.52 0.00 3.94 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 37 R 8.72 4.38 0.00 1.80 1.75 0.00 3.15 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 38 G 7.77 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 0.00 0.00 0.00 39 G 8.53 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 0.00 0.00 0.00 40 L 7.75 3.86 0.00 1.59 1.62 0.82 0.62 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 41 V 7.34 3.63 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 1.57 0.00 0.00 1.02 0.00 0.00 42 P 0.00 4.49 0.00 2.25 2.15 0.00 3.71 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 43 G 8.46 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 0.00 0.00 0.00 0.00 44 A 8.00 4.07 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 45 L 7.95 4.00 0.00 1.94 1.77 1.06 0.52 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 46 L 7.96 3.97 0.00 1.83 1.66 0.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.06 4.14 1.48 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 0.00 0.00 48 R 7.63 3.86 0.00 1.97 2.12 0.00 3.27 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 1.63 1.81 0.00 49 E 7.98 4.10 0.00 2.01 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 2.58 2.50 0.00 50 L 8.52 4.37 0.00 1.66 1.80 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.40 3.86 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 0.00 0.00 0.00 52 I 7.73 4.27 1.88 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 1.35 0.67 0.96 0.00 0.00 53 R 8.52 4.26 0.00 1.81 1.99 0.00 3.21 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 1.58 1.61 0.00 54 H 7.98 4.60 0.00 3.31 3.29 0.00 5.80 0.00 0.00 0.00 0.00 6.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.09 4.88 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.94 0.00 0.00 56 D 9.59 5.17 0.00 2.78 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.60 5.78 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 1.19 0.00 0.00 58 V 8.11 4.47 2.16 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 0.76 0.00 0.00 1.14 0.00 0.00 59 A 9.14 4.53 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 60 I 8.12 4.57 1.87 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 1.23 0.76 0.91 0.00 0.00 61 S 8.52 4.60 0.00 3.83 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 62 S 8.84 4.85 0.00 3.66 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 *63 Y 8.30 4.42 0.00 2.26 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 0.00 0.00 0.00 *71 L 7.41 4.17 0.00 1.68 1.47 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.94 4.35 0.00 1.46 1.74 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.26 7.81 73 V 8.32 4.24 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 0.89 0.00 0.00 0.93 0.00 0.00 74 L 8.74 4.24 0.00 1.63 1.76 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.97 4.77 0.00 1.40 1.60 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.80 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.35 1.01 7.81 76 R 8.27 5.07 0.00 1.54 1.66 0.00 3.23 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.21 0.00 77 A 8.67 4.30 1.15 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 0.00 0.00 78 E 8.38 4.15 0.00 1.97 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 2.30 2.31 0.00 79 G 8.76 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 80 D 8.63 4.79 0.00 2.95 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 81 G 8.32 4.04 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 0.00 0.00 0.00 82 E 8.03 4.39 0.00 2.05 1.78 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 2.26 2.13 0.00 83 G 9.35 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 84 F 7.96 5.36 0.00 3.15 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 85 I 8.00 4.67 1.52 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 -0.33 0.69 0.00 0.00 86 V 8.35 4.55 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 0.98 0.00 0.00 0.73 0.00 0.00 87 I 8.55 5.63 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 2.13 0.90 0.00 0.00 88 D 8.36 5.23 0.00 3.04 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 89 D 8.97 4.76 0.00 3.12 3.45 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 90 L 7.54 5.54 0.00 1.65 1.80 0.82 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.10 3.90 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 0.78 0.00 0.00 0.82 0.00 0.00 92 D 9.22 4.45 0.00 2.59 2.54 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 93 T 7.63 4.20 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 G 8.41 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 95 G 8.07 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.87 4.14 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 1.23 0.00 0.00 97 A 7.87 3.81 1.57 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 0.00 0.00 98 V 7.78 3.47 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 0.98 0.00 0.00 1.03 0.00 0.00 99 A 7.93 4.27 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 0.00 100 I 7.36 3.75 1.87 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 1.52 0.70 0.91 0.00 0.00 101 R 7.74 4.13 0.00 1.98 1.98 0.00 3.28 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 102 E 7.86 4.00 0.00 2.01 1.91 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 2.28 2.42 0.00 103 M 7.54 3.97 0.00 0.96 1.60 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.31 0.00 104 Y 7.37 5.09 0.00 2.96 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 0.00 105 P 0.00 4.41 0.00 2.07 2.12 0.00 3.84 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.25 0.00 106 K 8.09 4.41 0.00 1.77 1.69 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.34 1.00 7.81 107 A 7.46 5.04 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 0.00 108 H 8.86 4.79 0.00 3.56 3.12 0.00 5.78 0.00 0.00 0.00 0.00 6.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 9.37 5.18 0.00 3.10 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 0.00 110 V 8.99 5.26 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 0.66 0.00 0.00 0.86 0.00 0.00 111 T 7.75 5.50 4.17 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 0.85 0.00 0.00 112 I 8.52 3.64 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.99 0.21 0.00 0.00 113 F 8.44 5.40 0.00 2.88 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 0.00 114 A 8.65 4.60 0.25 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 0.00 115 K 8.71 5.10 0.00 1.92 1.65 0.00 1.89 0.00 0.00 1.76 0.00 0.00 2.75 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.15 7.81 116 P 0.00 4.10 0.00 2.26 2.11 0.00 3.70 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 117 A 8.46 4.21 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 0.00 118 G 7.89 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 0.00 119 R 7.40 3.71 0.00 1.88 1.94 0.00 3.08 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.64 0.00 120 P 0.00 4.56 0.00 2.24 2.19 0.00 3.63 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 1.99 2.03 0.00 121 L 7.77 4.24 0.00 1.81 1.62 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 122 V 6.57 4.68 1.81 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 0.45 0.00 0.00 0.95 0.00 0.00 123 D 8.69 4.63 0.00 2.50 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 7.78 4.69 0.00 2.76 2.42 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 0.00 125 Y 7.96 5.71 0.00 2.94 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 0.00 126 V 8.54 3.98 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 0.68 0.00 0.00 0.88 0.00 0.00 127 V 7.95 4.47 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 1.01 0.00 0.00 0.53 0.00 0.00 128 D 8.74 5.41 0.00 2.65 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 0.00 129 I 8.21 4.44 1.72 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.12 0.62 0.00 0.00 130 P 0.00 4.54 0.00 2.12 1.93 0.00 3.43 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 131 Q 8.55 4.00 0.00 1.96 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.96 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 132 D 7.91 4.62 0.00 2.83 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 0.00 133 T 7.29 4.59 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 1.17 0.00 0.00 134 W 8.78 4.45 0.00 3.45 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 0.00 135 I 7.41 4.31 1.27 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.28 0.11 0.00 0.00 136 E 9.03 4.24 0.00 2.13 1.84 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 2.25 2.25 0.00 137 Q 7.93 3.68 0.00 1.19 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.67 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 138 P 0.00 3.66 0.00 0.49 1.45 0.00 2.20 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 1.04 0.00 139 W 6.49 4.50 0.00 3.47 3.55 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 0.00 140 D 7.31 4.75 0.00 2.68 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 0.00 141 M 6.99 4.79 0.00 1.94 1.85 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.37 0.00 142 G 7.83 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 0.00 143 V 8.44 3.90 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 0.87 0.00 0.00 0.99 0.00 0.00 144 V 7.81 4.60 2.15 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 0.82 0.00 0.00 0.96 0.00 0.00 145 F 8.80 4.21 0.00 2.97 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 0.00 146 V 7.30 4.03 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 0.75 0.00 0.00 0.83 0.00 0.00 147 P 0.00 4.15 0.00 2.03 2.01 0.00 3.59 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 2.04 2.23 0.00 148 P 0.00 4.37 0.00 2.18 1.96 0.00 3.64 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 2.17 2.11 0.00 149 I 8.29 3.86 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.42 0.89 0.00 0.00 150 S 7.45 4.35 0.00 3.90 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 * Residues marked with a * may have inaccurate shift predictions.