NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 V 4.0014 8.0549 117.9084 60.3628 33.5844 175.7889 4 I 4.1826 7.9918 122.7663 58.2131 37.0552 172.8201 5 N 5.1848 8.5065 122.0535 50.5474 39.3854 173.8160 6 T 4.6642 7.6312 108.7144 60.2277 72.5968 174.4654 7 F 4.1931 8.3562 121.0722 61.2590 39.0738 177.8914 8 D 4.5457 8.3116 117.7688 57.3014 40.8187 178.8634 9 G 3.6839 8.1081 106.2821 47.8869 0.0000 175.9441 10 V 3.6543 8.4865 120.9450 65.4771 31.5546 177.8095 11 A 4.0792 8.2393 120.6165 55.4350 18.1176 179.4091 12 D 4.2494 8.1019 117.0669 57.5701 40.8516 178.1881 13 Y 3.9373 8.0971 119.9257 60.7794 38.7774 177.9601 14 L 3.8794 8.1788 119.9276 58.2672 41.5994 179.8781 15 Q 3.5595 7.7427 115.8855 58.4997 28.5823 178.5232 16 T 3.6100 6.9149 115.6974 65.6888 68.5186 176.0613 17 Y 4.0888 7.6821 117.5402 56.9666 38.3257 175.7982 18 H 3.2612 7.4192 116.0300 55.6619 26.7881 174.3549 19 K 4.5698 7.0049 111.7306 56.0315 35.3831 174.8633 20 L 4.1205 8.3932 120.1714 53.4612 41.9204 175.4118 21 P 3.7056 0.0000 0.0000 62.4074 31.6155 177.0541 22 D 4.4514 8.3088 118.3636 56.7642 40.9918 177.1589 23 N 4.5525 7.9815 115.7686 53.0446 37.8950 173.2503 24 Y 5.1143 7.4848 117.1414 56.6890 40.0649 174.7887 25 I 5.0794 8.7874 117.1680 59.1598 41.6842 175.1562 26 T 4.7917 8.8430 114.4303 60.4254 70.2597 175.7166 27 K 4.0062 9.3189 121.5238 59.6036 31.8834 179.8399 28 S 4.1726 8.1542 114.9703 61.8121 62.7509 176.2476 29 E 3.9907 8.0632 120.5355 59.4044 29.2147 179.4024 30 A 3.9870 7.9609 120.4316 55.4205 18.5138 179.6555 31 Q 4.3336 8.3970 116.2731 59.3028 28.6059 178.9539 32 A 4.0860 8.0675 120.6171 55.1553 18.4217 179.1582 33 L 4.2854 7.5251 116.0843 55.4695 41.8610 177.8625 34 G 4.2209 7.8226 107.5622 44.9982 0.0000 173.4985 35 W 4.4107 8.2475 130.1832 56.8342 31.2025 175.7691 36 V 3.7893 9.4732 126.1411 60.6321 32.1047 175.4602 37 A 3.4727 7.4792 131.1217 55.3997 17.9788 179.4648 38 S 4.4995 7.8156 108.4214 60.3739 62.9930 175.1076 39 K 4.2417 8.0923 119.2419 55.4077 32.7984 176.6699 40 G 3.1703 7.5242 106.7698 46.4223 0.0000 173.5536 41 N 4.8929 7.9427 113.8724 52.3634 38.1498 176.5055 42 L 3.9568 8.5292 122.7523 59.1496 41.6541 178.3348 43 A 4.0231 8.2273 120.0486 55.2901 18.0187 179.2594 44 D 4.3741 7.7872 116.3666 57.5309 41.0472 179.0127 45 V 4.0081 7.7528 111.0997 62.7288 33.3899 176.4624 46 A 4.6051 8.1613 121.9562 48.7089 18.7882 171.8263 47 P 4.5630 0.0000 0.0000 63.2105 31.9445 178.1523 48 G 3.8852 8.9949 111.2729 44.8863 0.0000 173.2114 49 K 4.6363 7.3482 118.2426 55.8060 33.6493 176.2687 50 S 4.5900 8.7698 117.1979 56.7023 67.5903 173.2891 51 I 4.3929 7.8252 122.6059 60.8494 38.6438 175.2614 52 G 4.2287 9.2715 111.4127 46.9906 0.0000 173.9498 53 G 4.4089 9.5670 109.6361 44.9278 0.0000 174.4933 54 D 4.7103 8.1666 119.8226 53.8617 42.3995 175.8102 55 I 4.2148 8.3497 122.2508 61.6273 37.8709 175.1234 56 F 4.7875 8.7201 130.1331 56.4362 39.9785 175.5918 57 S 3.9639 8.2191 121.5348 60.6345 63.0241 174.8383 58 N 3.9772 6.4884 117.7243 54.0274 36.8041 176.3339 59 R 3.8130 7.7958 116.8269 59.0539 30.2491 178.1916 60 E 4.0533 8.0931 114.2756 56.6341 29.7421 176.6324 61 G 3.9522 7.3514 107.1084 46.4757 0.0000 174.9655 62 K 4.1715 8.2127 118.2279 57.3056 32.8832 177.5009 63 L 3.8839 7.0029 118.2968 51.4230 43.2427 174.4496 64 P 4.3196 0.0000 0.0000 62.6776 31.6811 176.3013 65 G 4.0027 8.4692 112.5910 44.7569 0.0000 172.2120 66 K 4.2455 8.0236 121.1222 54.8135 34.8847 174.2647 67 S 4.1853 8.6974 117.1384 59.3339 62.1906 174.0165 68 G 3.7941 8.4671 115.5746 46.4196 0.0000 171.9070 69 R 4.2277 7.8326 120.1519 54.2443 31.3621 175.1452 70 T 4.6472 8.0886 115.2876 59.6164 72.0494 172.9632 71 W 5.1012 8.5150 122.2002 55.2368 32.3574 174.9936 72 R 5.1630 8.5442 120.9818 54.4458 34.4711 173.8049 73 E 5.5385 9.0978 118.2152 55.0003 33.7409 174.2706 74 A 4.9780 8.6616 120.0818 50.6113 22.9911 175.5904 75 D 4.9519 9.2585 122.1323 54.4705 40.3572 176.0933 76 I 4.3660 8.3887 122.6292 59.9747 40.7400 175.4972 77 N 4.3093 8.8482 121.2034 54.3722 36.5742 173.5013 78 Y 4.5019 7.3159 119.3459 56.8127 39.8627 175.8894 79 T 4.0116 7.2796 114.6488 62.7066 71.0824 173.5137 80 S 4.1098 6.3396 112.2263 58.6702 65.6108 175.1183 81 G 3.8274 8.5354 107.0941 44.5554 0.0000 173.2483 82 F 4.4400 8.6250 117.7358 57.0942 39.6604 175.3974 83 R 4.0994 8.9159 122.6486 56.9121 30.4823 177.0243 84 N 4.8573 8.6741 119.1616 52.5323 39.8728 174.9872 85 S 4.2386 8.5208 113.4155 58.5978 64.4885 172.7206 86 D 5.4793 8.3296 121.9496 53.4998 42.4051 175.7974 87 R 5.0160 9.2214 122.0066 54.5650 35.2274 173.7831 88 I 4.9763 8.8738 123.4647 59.8214 40.2203 174.1172 89 L 5.4234 9.1854 129.5079 53.2262 43.6481 174.9716 90 Y 5.6863 9.0894 122.5606 55.3016 41.4160 175.3285 91 S 4.4106 8.4066 116.8245 55.4291 65.3274 175.2516 92 S 3.3910 7.7996 114.3027 60.2060 62.8021 174.6016 93 D 4.4247 7.1635 118.8720 52.2668 39.2918 176.0466 94 W 3.8085 6.6197 117.6346 58.1158 27.0900 174.1192 95 L 4.4932 7.6533 118.5261 54.3937 42.1247 175.9990 96 I 5.4828 8.9874 123.6818 59.9816 40.3577 174.3734 97 Y 5.2390 9.7954 124.5427 56.0100 41.8237 174.6378 98 K 5.3314 9.5398 119.6345 55.6729 36.6166 175.0253 99 T 4.9492 9.1198 115.3289 60.5574 70.8258 174.0691 100 T 4.9499 8.7238 114.6275 60.0126 69.8518 173.3114 101 D 4.7845 7.3861 121.5623 53.7770 39.9567 175.0255 102 H 3.1893 8.5165 111.4903 58.4927 26.3546 175.6884 103 Y 3.1343 7.4955 112.5984 58.5249 35.8702 171.2939 104 Q 4.1845 7.7170 119.2768 58.4688 28.9517 176.7645 105 T 4.6166 8.2181 105.5923 59.6285 71.8309 172.7968 106 F 5.3224 8.5982 120.4649 56.1608 42.8429 174.5856 107 T 4.6715 8.9618 117.2796 61.3626 72.0563 173.4907 108 K 3.1688 8.4620 128.1752 56.1815 32.3069 176.2279 109 I 4.5232 8.9906 119.2901 60.4568 39.5855 175.8225 110 R 4.2051 7.6207 127.1010 56.6617 31.1470 174.5591 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 V 8.05 4.00 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 0.94 0.00 0.00 0.93 0.00 0.00 4 I 7.99 4.18 1.77 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 1.47 1.09 0.94 0.00 0.00 5 N 8.51 5.18 0.00 2.76 2.83 0.00 0.00 6.33 7.22 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 6 T 7.63 4.66 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 1.20 0.00 0.00 7 F 8.36 4.19 0.00 3.16 3.18 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 0.00 0.00 0.00 8 D 8.31 4.55 0.00 2.76 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 9 G 8.11 3.68 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 0.00 0.00 0.00 10 V 8.49 3.65 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 0.95 0.00 0.00 1.11 0.00 0.00 11 A 8.24 4.08 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.10 4.25 0.00 2.87 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 13 Y 8.10 3.94 0.00 3.21 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 14 L 8.18 3.88 0.00 1.87 1.77 0.45 0.89 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 15 Q 7.74 3.56 0.00 1.92 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.54 2.66 0.00 16 T 6.91 3.61 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 0.51 0.00 0.00 17 Y 7.68 4.09 0.00 2.46 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 18 H 7.42 3.26 0.00 3.22 3.32 0.00 5.89 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.00 4.57 0.00 1.98 1.85 0.00 1.91 0.00 0.00 1.93 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.63 7.81 20 L 8.39 4.12 0.00 1.67 1.56 0.85 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 3.71 0.00 2.28 1.35 0.00 3.37 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.56 0.00 22 D 8.31 4.45 0.00 2.63 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 23 N 7.98 4.55 0.00 2.76 2.86 0.00 0.00 6.18 7.57 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 24 Y 7.48 5.11 0.00 3.16 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 25 I 8.79 5.08 1.85 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.73 0.89 0.00 0.00 26 T 8.84 4.79 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 1.27 0.00 0.00 27 K 9.32 4.01 0.00 1.95 2.16 0.00 1.90 0.00 0.00 1.94 0.00 0.00 3.04 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.68 1.73 7.81 28 S 8.15 4.17 0.00 3.92 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 29 E 8.06 3.99 0.00 2.15 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 2.36 2.37 0.00 30 A 7.96 3.99 1.18 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 0.00 0.00 0.00 0.00 0.00 31 Q 8.40 4.33 0.00 2.44 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.94 0.00 32 A 8.07 4.09 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 33 L 7.53 4.29 0.00 1.82 1.78 0.92 1.15 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 34 G 7.82 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 0.00 0.00 0.00 0.00 35 W 8.25 4.41 0.00 3.19 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 36 V 9.47 3.79 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 0.87 0.00 0.00 0.90 0.00 0.00 37 A 7.48 3.47 0.82 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 38 S 7.82 4.50 0.00 3.86 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 39 K 8.09 4.24 0.00 1.70 1.78 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.46 7.81 40 G 7.52 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 0.00 0.00 0.00 41 N 7.94 4.89 0.00 2.91 3.01 0.00 0.00 5.74 6.67 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 42 L 8.53 3.96 0.00 1.29 1.63 0.30 0.36 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 43 A 8.23 4.02 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 44 D 7.79 4.37 0.00 2.85 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 45 V 7.75 4.01 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 0.86 0.00 0.00 1.14 0.00 0.00 46 A 8.16 4.61 1.18 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 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.56 0.00 2.15 2.07 0.00 3.11 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 48 G 8.99 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 49 K 7.35 4.64 0.00 1.68 1.60 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.69 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.49 7.81 50 S 8.77 4.59 0.00 2.86 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 51 I 7.83 4.39 1.68 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.38 0.86 0.00 0.00 52 G 9.27 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 53 G 9.57 4.41 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 0.00 54 D 8.17 4.71 0.00 2.71 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 55 I 8.35 4.21 1.88 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 1.23 0.73 0.90 0.00 0.00 56 F 8.72 4.79 0.00 3.01 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 57 S 8.22 3.96 0.00 3.81 3.77 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 58 N 6.49 3.98 0.00 2.93 2.86 0.00 0.00 7.17 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 7.80 3.81 0.00 1.93 1.88 0.00 3.38 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 1.63 1.22 0.00 60 E 8.09 4.05 0.00 1.99 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 2.26 2.26 0.00 61 G 7.35 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 62 K 8.21 4.17 0.00 1.94 2.14 0.00 2.07 0.00 0.00 1.82 0.00 0.00 3.17 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.54 7.81 63 L 7.00 3.88 0.00 0.73 0.13 -0.70 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.32 0.00 2.27 2.12 0.00 2.88 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.08 0.00 65 G 8.47 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 0.00 0.00 0.00 66 K 8.02 4.25 0.00 1.74 1.55 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.37 7.81 67 S 8.70 4.19 0.00 3.99 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 68 G 8.47 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 0.00 0.00 0.00 69 R 7.83 4.23 0.00 1.60 1.85 0.00 3.24 0.00 0.00 2.98 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.12 0.00 70 T 8.09 4.65 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 1.12 0.00 0.00 71 W 8.52 5.10 0.00 3.49 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 72 R 8.54 5.16 0.00 0.67 1.31 0.00 3.05 0.00 0.00 3.45 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.30 0.00 73 E 9.10 5.54 0.00 2.18 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 0.00 2.47 2.38 0.00 74 A 8.66 4.98 0.98 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 0.00 0.00 0.00 0.00 0.00 75 D 9.26 4.95 0.00 2.72 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.39 4.37 1.34 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.88 -0.17 0.00 0.00 77 N 8.85 4.31 0.00 2.77 2.86 0.00 0.00 6.87 7.42 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 78 Y 7.32 4.50 0.00 3.15 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 79 T 7.28 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 1.09 0.00 0.00 80 S 6.34 4.11 0.00 3.84 3.64 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 81 G 8.54 3.83 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 0.00 82 F 8.63 4.44 0.00 3.18 3.13 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 83 R 8.92 4.10 0.00 1.99 2.06 0.00 3.32 0.00 0.00 3.56 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.82 0.00 84 N 8.67 4.86 0.00 2.86 2.98 0.00 0.00 6.04 7.64 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 85 S 8.52 4.24 0.00 3.86 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 86 D 8.33 5.48 0.00 2.94 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 87 R 9.22 5.02 0.00 1.60 1.83 0.00 3.60 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.08 0.00 88 I 8.87 4.98 2.09 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.87 1.05 0.00 0.00 89 L 9.19 5.42 0.00 1.70 1.27 1.11 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 9.09 5.69 0.00 3.09 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 91 S 8.41 4.41 0.00 2.88 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 92 S 7.80 3.39 0.00 3.71 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 93 D 7.16 4.42 0.00 2.69 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 94 W 6.62 3.81 0.00 3.59 3.48 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 95 L 7.65 4.49 0.00 1.83 2.04 1.25 0.87 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 96 I 8.99 5.48 2.03 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.39 1.22 0.00 0.00 97 Y 9.80 5.24 0.00 2.82 2.97 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 98 K 9.54 5.33 0.00 1.14 1.63 0.00 0.61 0.00 0.00 0.91 0.00 0.00 2.36 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.14 1.04 7.81 99 T 9.12 4.95 3.75 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 1.06 0.00 0.00 100 T 8.72 4.95 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 1.22 0.00 0.00 101 D 7.39 4.78 0.00 2.83 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 0.00 102 H 8.52 3.19 0.00 3.31 3.48 0.00 5.96 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.50 3.13 0.00 3.29 3.38 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 0.00 104 Q 7.72 4.18 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 105 T 8.22 4.62 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 1.21 0.00 0.00 106 F 8.60 5.32 0.00 3.02 3.18 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 0.00 0.00 0.00 107 T 8.96 4.67 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 1.12 0.00 0.00 108 K 8.46 3.17 0.00 1.16 1.45 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.23 1.04 7.81 109 I 8.99 4.52 1.85 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.91 0.77 0.00 0.00 110 R 7.62 4.21 0.00 1.91 1.85 0.00 3.47 0.00 0.00 3.40 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 * Residues marked with a * may have inaccurate shift predictions.