NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2596 8.1727 120.1405 56.9945 35.0347 173.4036 2 V 4.6038 8.0689 120.2079 60.7441 32.1660 174.8339 3 F 4.4527 9.9339 128.6075 57.5914 40.2452 174.7563 4 E 4.3178 8.7304 120.5781 55.5814 31.0609 177.0720 5 R 3.2183 8.9612 121.8939 60.6060 29.9076 179.5685 6 C 4.3456 8.0263 115.2597 59.6149 40.6728 175.6899 7 E 3.8837 8.0877 120.7614 59.2424 29.3476 178.4732 8 L 3.7648 8.0913 120.1591 57.8869 42.0501 178.6182 9 A 3.9586 7.7933 120.6415 55.3762 18.3413 179.8711 10 R 3.8885 8.1913 116.5664 59.6150 30.1208 179.5058 11 T 3.8744 7.9915 115.4764 66.6231 68.5117 176.7253 12 L 3.8511 8.2968 121.2042 57.6894 41.6930 179.5249 13 K 3.9438 8.0480 119.5535 59.5111 31.8757 178.8298 14 R 3.9799 7.8110 118.1851 58.7613 29.9555 177.2491 15 L 4.5283 7.5478 117.2745 54.0572 42.1190 176.8481 16 G 3.9486 7.6032 104.9746 46.9336 0.0000 175.7319 17 M 3.8519 7.8789 121.7843 56.9715 32.1737 175.7754 18 D 4.4494 8.0089 117.9026 56.1327 41.0122 176.0363 19 G 3.9394 9.3255 116.3637 45.0595 0.0000 171.2124 20 Y 4.2176 8.1146 121.4054 58.8451 38.7476 176.3049 21 R 3.5809 9.0497 127.3279 57.2094 27.6250 177.7451 22 G 3.8482 8.4303 105.8845 45.4680 0.0000 174.4395 23 I 3.8511 7.4863 122.1760 60.0708 37.3379 175.9250 24 S 4.7125 8.3357 121.0982 57.8421 65.0360 174.6571 25 L 4.2477 8.7065 124.2164 58.4132 41.7871 179.2460 26 A 4.1554 8.1757 120.1902 55.5696 18.3690 179.2384 27 N 4.4798 8.1628 114.3576 56.2789 38.5062 177.7851 28 W 4.2470 8.1326 120.4511 59.9333 29.0961 178.4616 29 M 4.1587 8.6055 119.0130 58.6933 31.5845 177.9585 30 C 3.2087 8.1671 118.5141 59.0552 44.3818 175.4289 31 L 3.9867 7.9684 121.7316 58.2169 41.7317 178.7896 32 A 4.1309 8.3227 122.1726 54.3890 18.2324 179.0830 33 K 2.8324 8.4037 118.4810 59.6576 31.9661 178.9397 34 W 4.1069 7.7699 117.0236 59.0242 29.1274 178.2266 35 E 4.3743 8.3610 118.7801 58.7361 29.3411 178.2245 36 S 4.4382 8.3148 108.8454 57.8895 65.5685 174.3936 37 G 3.2348 8.5055 108.4874 47.0152 0.0000 173.6774 38 Y 3.6016 7.5778 113.0851 58.5443 35.2611 168.4345 39 N 5.1787 7.7858 119.6800 52.0401 39.7190 175.9155 40 T 4.0123 8.9728 117.3965 64.1853 69.1012 176.1131 41 R 4.2270 8.5356 119.7507 56.4043 30.8686 176.3867 42 A 4.2183 7.8338 121.5871 52.8882 19.2338 176.7722 43 T 5.0561 8.4446 111.9238 60.0648 72.1950 173.1633 44 N 4.9837 8.8802 121.6487 51.6605 42.4462 173.4462 *45 Y 4.5572 8.5482 124.5354 57.0963 40.4229 174.7024 46 N 4.9171 8.7920 120.2244 50.6039 41.4536 175.8258 47 A 4.3730 8.5975 130.7678 52.2826 17.4884 177.8506 48 G 3.9117 8.0772 109.5866 47.7927 0.0000 174.6331 49 D 4.6081 8.0439 118.7490 51.4639 41.1882 178.8313 50 R 3.9537 7.9201 116.5911 58.7021 27.1016 173.6264 51 S 5.0085 7.3365 112.3706 57.1013 67.9004 174.3676 52 T 5.0294 8.4657 114.1683 62.3451 73.0820 173.0876 53 D 5.1166 9.1636 126.1835 53.5243 42.6739 175.1497 54 Y 5.0234 9.1044 121.0422 57.2574 41.8550 177.1883 55 G 4.2730 8.7697 111.3748 44.8004 0.0000 174.2000 56 I 4.0335 7.9961 117.3119 63.1341 36.9003 177.7328 57 F 4.7795 7.9245 115.3688 56.3246 39.7485 175.6694 58 Q 3.4729 8.1696 119.0604 57.0841 26.4888 173.8047 59 I 4.4152 8.4804 119.6871 60.7811 39.0677 176.7368 60 N 5.2810 9.1527 126.3730 53.5309 40.0204 175.1753 61 S 4.9139 9.3593 122.1543 59.6927 63.3728 175.8514 62 R 4.3160 9.6021 123.6724 59.5174 30.1924 182.0353 63 Y 4.4084 8.0312 117.1415 56.6503 40.7841 176.6958 64 W 4.6698 8.1612 117.8388 58.3550 31.0032 173.4231 65 C 5.6888 8.2934 112.1563 53.5243 46.3847 171.8098 66 N 5.2409 9.0563 118.7032 52.1755 39.5725 174.6131 67 D 4.3734 9.0700 125.8451 53.1808 40.9002 176.8205 68 G 3.9569 8.5278 107.5713 45.2459 0.0000 172.9080 69 K 4.9371 7.0067 118.3270 57.2439 34.0610 174.0768 70 T 4.6000 8.0225 116.4453 61.6155 70.8657 172.4416 71 P 4.2319 0.0000 0.0000 64.0629 31.6680 176.1772 72 G 3.7756 8.8122 109.1737 46.4578 0.0000 173.2717 73 A 4.9168 8.0656 122.1178 51.3080 18.9684 178.2148 74 V 3.9177 8.3061 122.2218 62.4031 34.0865 175.0323 75 N 4.0121 7.8522 116.2382 54.4165 36.6199 174.3842 76 A 3.8671 7.5952 121.9946 55.3015 19.0549 178.5611 77 C 4.4776 8.4285 111.5829 57.6553 40.8424 172.8060 78 H 3.8642 7.9349 118.9621 56.9003 28.4331 173.6115 79 L 4.8427 8.0835 116.8680 52.8209 46.2983 176.2527 80 S 4.8264 8.3026 115.2334 57.5802 64.4443 175.9630 81 C 4.1138 8.6345 122.5700 60.0942 35.1107 176.6905 82 S 3.8933 7.8483 114.9558 60.9686 62.4937 175.9141 83 A 4.5499 8.0616 124.9862 53.3293 17.8322 177.4837 84 L 4.6589 7.5569 117.3000 54.8610 41.9999 177.5834 85 L 5.6270 7.5791 115.0768 53.7526 43.5955 176.6092 86 Q 4.5771 7.8709 117.8686 54.4789 30.3202 176.6420 87 D 4.3261 8.5656 119.5515 56.9286 41.0684 176.4750 88 N 4.6905 8.0253 118.0428 52.7024 39.1846 174.6429 89 I 4.1924 8.4242 119.0532 60.9618 38.0094 176.8409 90 A 3.9289 8.3025 124.6743 56.0939 18.1299 180.0478 91 D 4.2855 8.0691 116.2442 57.3780 40.9381 178.7218 92 A 4.0497 7.9434 120.8458 55.0669 18.3781 179.6305 93 V 3.4163 8.2266 116.9322 66.1933 31.6478 178.1300 94 A 3.7923 7.9165 120.4107 55.2668 18.1787 178.7691 95 C 4.2858 8.3053 116.7956 59.4215 37.9272 175.6708 96 A 3.9862 8.0176 122.8006 55.0163 17.6547 179.7620 97 K 4.0091 7.8656 116.4643 59.3769 32.2459 179.2462 98 R 4.0890 7.8017 119.1335 59.3028 29.5335 178.6014 99 V 2.4326 7.4134 117.9207 65.7812 31.2306 177.8553 100 V 3.9177 7.4447 107.7790 62.2225 31.5420 177.7856 101 R 4.1073 7.7663 119.6761 58.5688 30.3883 176.5366 102 D 4.6838 7.3414 117.2077 53.1728 41.5992 175.2788 103 P 4.2338 0.0000 0.0000 65.9097 31.2044 178.0585 104 Q 3.9623 8.1544 118.6759 56.8650 30.0283 176.9565 105 G 3.9574 7.9255 106.9897 46.1405 0.0000 174.9833 106 I 3.8828 7.6515 119.2034 62.8542 38.1928 177.8623 107 R 4.3302 7.1380 116.1174 57.6786 29.8413 177.4450 108 A 3.8900 7.5371 121.9735 53.9716 18.6681 177.7190 109 W 4.7160 8.1650 117.1405 55.2066 29.7389 177.4520 110 V 3.7484 8.7471 124.9584 65.0143 30.6444 178.0134 111 A 4.0317 8.3045 120.7182 54.5567 18.1582 179.3025 112 W 3.9901 8.5185 129.5341 61.3631 30.6345 179.0648 113 R 3.7273 8.1759 118.7468 61.5098 28.9528 179.7876 114 N 4.5846 7.9591 116.1637 54.9881 38.7407 176.8041 115 R 4.0059 8.0712 116.5285 55.7271 31.8373 175.8642 116 C 4.6124 7.8239 115.3272 57.4208 42.8225 174.3730 117 Q 3.2135 6.6781 119.9811 56.9798 28.7267 175.3545 118 N 4.1693 8.5783 122.0683 54.6357 36.2041 173.8713 119 R 4.6751 7.3494 114.1636 54.0066 33.5865 177.0750 120 D 4.6853 8.1911 119.2084 53.7819 38.2800 177.0118 121 V 4.2664 7.9477 118.8809 64.1098 32.1897 178.2811 122 R 4.0915 8.2553 120.7644 61.4477 27.4518 183.6931 123 Q 4.1941 7.8087 116.0500 59.8180 28.1873 178.4534 124 Y 4.4184 7.9259 117.7015 60.0882 38.1969 177.8561 125 V 4.3331 7.3615 110.4597 60.1747 32.8880 175.8688 126 Q 4.1578 7.4202 118.9015 57.4756 28.8821 177.1159 127 G 3.9705 8.9874 110.1778 45.8738 0.0000 174.4095 128 C 4.4808 8.0907 116.4660 56.3978 41.0467 174.4760 129 G 3.8676 8.1545 106.5669 46.5357 0.0000 173.9327 130 V 3.9573 7.8568 118.1099 61.1005 31.8105 176.0631 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 K 8.17 4.26 0.00 1.74 2.09 0.00 1.06 0.00 0.00 1.55 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.10 7.81 2 V 8.07 4.60 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 0.88 0.00 0.00 0.96 0.00 0.00 3 F 9.93 4.45 0.00 2.82 2.87 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 0.00 0.00 0.00 4 E 8.73 4.32 0.00 1.83 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 2.27 2.38 0.00 5 R 8.96 3.22 0.00 1.94 1.93 0.00 3.44 0.00 0.00 3.50 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.81 0.00 6 C 8.03 4.35 0.00 3.00 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 7 E 8.09 3.88 0.00 2.04 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 0.00 2.65 2.42 0.00 8 L 8.09 3.76 0.00 1.47 1.43 0.07 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.79 3.96 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 10 R 8.19 3.89 0.00 2.04 2.00 0.00 3.14 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 1.65 1.87 0.00 11 T 7.99 3.87 4.30 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 1.23 0.00 0.00 12 L 8.30 3.85 0.00 1.58 1.60 0.95 0.59 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 13 K 8.05 3.94 0.00 1.93 1.96 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 R 7.81 3.98 0.00 2.05 2.16 0.00 3.30 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 15 L 7.55 4.53 0.00 1.65 1.53 0.85 0.85 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 G 7.60 3.95 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 0.00 17 M 7.88 3.85 0.00 1.35 2.01 0.00 0.00 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.22 0.00 18 D 8.01 4.45 0.00 2.68 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 19 G 9.33 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 20 Y 8.11 4.22 0.00 3.37 3.24 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 0.00 21 R 9.05 3.58 0.00 1.32 1.76 0.00 3.15 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.17 0.00 22 G 8.43 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 0.00 0.00 0.00 23 I 7.49 3.85 1.82 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.82 -0.55 0.00 0.00 24 S 8.34 4.71 0.00 4.12 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 25 L 8.71 4.25 0.00 2.04 1.83 1.00 1.35 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 26 A 8.18 4.16 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.16 4.48 0.00 2.84 2.78 0.00 0.00 7.10 7.10 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 28 W 8.13 4.25 0.00 3.59 3.19 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 29 M 8.61 4.16 0.00 2.15 2.41 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 2.72 2.96 0.00 30 C 8.17 3.21 0.00 2.54 3.19 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 31 L 7.97 3.99 0.00 1.95 2.00 0.76 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 0.00 0.00 0.00 0.00 32 A 8.32 4.13 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 33 K 8.40 2.83 0.00 1.61 1.83 0.00 0.75 0.00 0.00 1.20 0.00 0.00 2.42 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 0.34 7.81 34 W 7.77 4.11 0.00 3.34 3.29 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 35 E 8.36 4.37 0.00 2.09 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 0.00 2.55 2.31 0.00 36 S 8.31 4.44 0.00 4.01 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 37 G 8.51 3.23 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 38 Y 7.58 3.60 0.00 3.24 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 39 N 7.79 5.18 0.00 2.77 2.78 0.00 0.00 7.00 7.24 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 40 T 8.97 4.01 4.39 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 1.52 0.00 0.00 41 R 8.54 4.23 0.00 2.21 2.05 0.00 3.30 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 1.63 1.44 0.00 42 A 7.83 4.22 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 43 T 8.44 5.06 4.15 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 1.43 0.00 0.00 44 N 8.88 4.98 0.00 2.72 2.69 0.00 0.00 6.37 7.01 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 *45 Y 8.55 4.56 0.00 2.29 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 0.00 0.00 0.00 46 N 8.79 4.92 0.00 2.86 2.72 0.00 0.00 7.20 7.59 0.00 0.00 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 A 8.60 4.37 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.08 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 49 D 8.04 4.61 0.00 2.70 2.56 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 50 R 7.92 3.95 0.00 1.96 2.02 0.00 3.13 0.00 0.00 3.29 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 51 S 7.34 5.01 0.00 4.10 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 0.00 52 T 8.47 5.03 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 0.55 0.00 0.00 53 D 9.16 5.12 0.00 2.69 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 54 Y 9.10 5.02 0.00 2.92 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 55 G 8.77 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 0.00 0.00 0.00 0.00 56 I 8.00 4.03 1.50 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.40 -0.44 0.00 0.00 57 F 7.92 4.78 0.00 3.09 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 58 Q 8.17 3.47 0.00 2.45 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.81 0.00 0.00 0.00 0.00 0.00 2.48 2.71 0.00 59 I 8.48 4.42 2.13 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.96 1.10 0.00 0.00 60 N 9.15 5.28 0.00 3.07 2.98 0.00 0.00 6.98 8.20 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 61 S 9.36 4.91 0.00 4.27 4.61 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 62 R 9.60 4.32 0.00 1.49 1.97 0.00 3.21 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 0.00 63 Y 8.03 4.41 0.00 2.66 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 0.00 0.00 0.00 0.00 64 W 8.16 4.67 0.00 3.58 3.25 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 65 C 8.29 5.69 0.00 3.14 3.25 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 66 N 9.06 5.24 0.00 2.78 2.66 0.00 0.00 7.28 8.09 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 67 D 9.07 4.37 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 68 G 8.53 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 69 K 7.01 4.94 0.00 1.90 1.90 0.00 1.56 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.35 7.81 70 T 8.02 4.60 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 1.33 0.00 0.00 71 P 0.00 4.23 0.00 2.18 2.07 0.00 4.04 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 2.05 1.98 0.00 72 G 8.81 3.78 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 0.00 0.00 0.00 73 A 8.07 4.92 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 74 V 8.31 3.92 1.67 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 0.58 0.00 0.00 1.06 0.00 0.00 75 N 7.85 4.01 0.00 2.91 2.67 0.00 0.00 7.10 8.17 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 76 A 7.60 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 C 8.43 4.48 0.00 3.28 3.23 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 78 H 7.93 3.86 0.00 3.21 3.33 0.00 5.89 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.08 4.84 0.00 1.71 1.47 0.95 0.76 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 80 S 8.30 4.83 0.00 3.93 3.93 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 81 C 8.63 4.11 0.00 2.23 1.53 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 82 S 7.85 3.89 0.00 4.01 4.05 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 83 A 8.06 4.55 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 84 L 7.56 4.66 0.00 1.96 1.77 1.05 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.58 5.63 0.00 1.66 1.64 1.05 1.16 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 86 Q 7.87 4.58 0.00 2.30 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 87 D 8.57 4.33 0.00 2.65 2.66 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 88 N 8.03 4.69 0.00 2.69 2.75 0.00 0.00 6.97 7.94 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 89 I 8.42 4.19 1.75 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.94 0.81 0.00 0.00 90 A 8.30 3.93 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 91 D 8.07 4.29 0.00 2.84 2.73 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 92 A 7.94 4.05 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 93 V 8.23 3.42 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 0.78 0.00 0.00 0.92 0.00 0.00 94 A 7.92 3.79 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 95 C 8.31 4.29 0.00 3.15 3.27 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 0.00 96 A 8.02 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.87 4.01 0.00 1.57 1.31 0.00 1.18 0.00 0.00 0.61 0.00 0.00 2.33 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.46 1.03 7.81 98 R 7.80 4.09 0.00 2.09 2.16 0.00 3.33 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.07 0.00 99 V 7.41 2.43 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 -0.03 0.00 0.00 -0.46 0.00 0.00 100 V 7.44 3.92 2.12 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 1.09 0.00 0.00 1.45 0.00 0.00 101 R 7.77 4.11 0.00 2.08 2.28 0.00 3.37 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 102 D 7.34 4.68 0.00 2.84 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 0.00 103 P 0.00 4.23 0.00 2.02 2.12 0.00 3.70 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 2.03 2.09 0.00 104 Q 8.15 3.96 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.78 0.00 0.00 0.00 0.00 0.00 2.44 2.33 0.00 105 G 7.93 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 0.00 106 I 7.65 3.88 1.09 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.95 -0.82 0.00 0.00 107 R 7.14 4.33 0.00 2.09 2.03 0.00 3.33 0.00 0.00 3.46 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.47 0.00 108 A 7.54 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.16 4.72 0.00 3.73 3.25 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 0.00 110 V 8.75 3.75 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 0.91 0.00 0.00 0.97 0.00 0.00 111 A 8.30 4.03 1.53 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 0.00 112 W 8.52 3.99 0.00 3.51 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 R 8.18 3.73 0.00 1.95 1.84 0.00 3.31 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.29 0.00 114 N 7.96 4.58 0.00 2.54 2.73 0.00 0.00 6.89 7.80 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 0.00 115 R 8.07 4.01 0.00 0.97 0.66 0.00 2.21 0.00 0.00 2.51 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.63 0.00 116 C 7.82 4.61 0.00 1.85 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 0.00 117 Q 6.68 3.21 0.00 0.93 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.91 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 118 N 8.58 4.17 0.00 2.77 2.80 0.00 0.00 6.89 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 0.00 119 R 7.35 4.68 0.00 1.82 1.81 0.00 3.26 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 120 D 8.19 4.69 0.00 2.79 2.56 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 0.00 121 V 7.95 4.27 2.35 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 0.92 0.00 0.00 1.06 0.00 0.00 122 R 8.26 4.09 0.00 1.81 1.96 0.00 3.25 0.00 0.00 3.39 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.27 0.00 123 Q 7.81 4.19 0.00 2.12 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.42 1.66 0.00 124 Y 7.93 4.42 0.00 3.26 3.19 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 0.00 125 V 7.36 4.33 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 0.98 0.00 0.00 1.08 0.00 0.00 126 Q 7.42 4.16 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.69 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 127 G 8.99 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 0.00 128 C 8.09 4.48 0.00 3.11 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 0.00 129 G 8.15 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 130 V 7.86 3.96 2.11 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 0.73 0.00 0.00 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.