NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2451 8.1744 110.9384 61.6187 69.7797 173.2256 2 D 4.5572 8.4686 126.2123 51.6986 41.5739 173.2638 3 L 5.3882 8.3244 126.3660 54.1758 43.0151 177.9641 4 S 4.1277 8.4261 118.1879 61.5877 62.8305 176.1527 5 A 4.0295 7.9944 123.9220 54.7905 18.1966 179.2976 6 Q 3.9848 8.1723 116.0852 59.1835 28.8386 178.8300 7 K 3.8715 8.2962 119.3771 59.7608 31.9686 178.9481 8 R 3.8987 7.8088 117.9354 59.6776 29.8893 178.5290 9 L 4.0220 8.0594 118.3415 57.7540 41.5736 179.2808 10 A 4.0588 8.9951 121.1599 55.2460 18.3501 179.5459 11 A 3.9983 8.5564 119.6153 54.9325 18.2822 179.4086 12 D 4.3302 7.8302 117.2233 57.2540 41.1269 178.9032 13 V 3.6662 7.8577 118.3585 64.6449 31.6149 177.3156 14 L 4.0615 8.1264 118.3941 54.7327 42.2010 175.9394 15 D 4.3762 7.4925 117.8231 54.5601 39.7030 172.3497 16 V 4.5051 8.3897 117.1883 61.0531 34.5045 174.0076 17 G 3.7647 8.5147 112.6982 45.2553 0.0000 174.5452 18 K 3.9324 8.9810 122.7828 59.7747 32.1100 178.7606 19 N 4.6632 8.1933 110.3056 54.5641 38.3755 175.2885 20 R 4.6411 8.1823 118.3314 56.4880 33.4656 176.5510 21 V 4.2935 7.3138 112.4998 61.1622 32.3667 175.6864 22 W 4.7792 9.8035 134.7035 55.5812 33.6190 173.8185 23 F 5.1412 7.9293 125.3215 55.2071 40.6291 174.7506 24 N 3.2689 8.2506 123.5584 52.9110 39.0502 174.0112 25 P 4.1343 0.0000 0.0000 65.0433 31.5771 176.8702 26 E 4.4476 8.4452 115.8810 56.5556 29.9656 176.5308 27 R 4.7669 7.8308 119.5440 55.6299 31.3253 178.4250 28 Q 3.9932 8.3823 118.4102 59.1582 28.6189 178.1943 29 G 3.6253 8.0146 104.6277 47.9846 0.0000 174.8831 30 D 4.4679 7.9082 120.5917 57.3365 40.9698 178.8925 31 I 3.5721 8.0004 120.3671 64.0516 36.7705 178.3361 32 A 4.0002 8.3503 121.3335 54.5186 18.2389 178.4109 33 D 4.7769 7.4761 114.9120 53.6859 41.4471 176.4147 34 A 4.1756 7.5814 123.0426 52.5958 18.0118 177.0624 35 I 4.0519 8.5536 123.5430 64.3381 38.0890 178.1364 36 T 4.3662 7.5141 109.6959 60.8167 71.4933 175.5810 37 R 3.9562 8.3079 119.3639 59.1389 29.9955 178.7150 38 E 3.9507 8.1683 118.7622 59.4458 29.6928 178.3020 39 D 4.3354 8.3065 119.1636 57.4130 40.8579 179.1954 40 V 3.5044 7.4860 118.3184 66.0048 31.5272 177.9121 41 R 3.8858 8.3317 118.2512 59.9628 29.9259 177.8542 42 E 3.8226 8.3549 118.0895 60.0297 29.4550 178.7513 43 L 3.9015 8.0884 118.3516 57.8342 41.7774 180.2104 44 V 3.8688 7.5996 119.5615 65.5871 31.3546 177.8762 45 D 4.5352 8.1765 117.5785 57.1293 40.7134 177.8855 46 E 4.2880 8.2195 117.1052 56.3644 29.6297 177.5668 47 G 3.9436 8.4097 107.2122 46.0050 0.0000 174.6241 48 A 4.3813 8.3283 124.2476 53.5401 19.8403 178.3044 49 I 5.1728 7.8212 115.9797 59.9984 40.5029 175.3075 50 Q 4.7847 9.7036 124.2035 54.7571 34.1642 172.9988 51 A 5.1064 8.3880 120.7944 50.1244 20.9618 176.6683 52 K 4.1518 9.1321 122.8359 56.7563 32.9473 177.0311 53 D 4.6832 8.4872 121.9644 53.4493 41.9936 176.4823 54 K 4.3719 8.1411 120.1218 55.7054 34.1004 176.6036 55 K 4.2141 8.3249 121.4954 55.9644 33.0135 176.6833 56 G 4.0104 8.2061 111.2553 43.4337 0.0000 172.3626 57 N 4.2780 8.8955 123.2130 53.4577 39.0416 175.2157 58 S 4.2533 8.6010 119.4418 58.8829 63.5160 174.7385 59 R 4.5591 8.5967 123.1999 56.3184 29.9801 178.2730 60 G 3.7349 8.0522 106.6427 48.5867 0.0000 176.0901 61 R 4.0036 7.9454 119.9829 57.8502 30.1414 179.1916 62 A 4.0101 7.7755 120.6693 55.3245 18.7064 179.7192 63 R 3.9032 8.2070 116.7066 59.2962 30.1563 179.2390 64 E 3.9790 8.0018 118.6664 59.2472 29.4456 179.2907 65 R 3.8946 7.7195 118.5613 59.6902 30.2147 178.5385 66 Q 4.0687 8.2501 117.7664 58.9524 28.5373 179.3021 67 K 4.0423 7.9078 119.1392 59.1605 32.0334 179.5153 68 K 4.0426 7.9304 118.3044 59.7673 32.0722 179.7191 69 R 4.5326 8.3729 119.3836 58.6014 29.7348 178.8989 70 A 4.0532 7.8496 119.9533 55.2832 18.5328 178.4263 71 Y 4.2928 8.0126 114.7162 58.3025 38.8963 176.3538 72 G 3.7916 8.4719 107.5814 46.2169 0.0000 173.2419 73 H 4.8307 8.8392 118.2880 55.0278 30.5720 174.3431 74 Q 3.8449 8.7104 115.9178 57.1815 25.4804 174.4311 75 K 4.6828 7.8837 112.6823 55.7414 33.8120 177.0755 76 G 3.8556 8.2618 106.9545 44.3081 0.0000 174.6397 77 A 4.1797 8.5044 121.1742 51.8649 19.5102 178.1881 *78 G 3.9203 8.1811 106.8520 45.6105 0.0000 173.6172 79 S 4.5391 8.9831 117.6743 58.7023 63.6804 174.3123 80 R 4.3349 7.3278 119.9776 55.3186 30.6904 176.0580 81 K 4.3491 8.6899 122.1481 56.9322 34.4491 176.4403 82 G 3.9416 7.7389 106.0159 43.7651 0.0000 173.2044 83 K 4.1277 8.2634 120.0328 55.8503 34.1318 177.2218 84 A 4.1090 8.5386 123.1699 55.3062 18.1677 180.0097 85 G 3.7783 8.0439 102.0263 46.2520 0.0000 174.8360 86 A 4.2284 7.4105 122.7580 55.0682 18.8101 179.4536 87 R 4.1215 7.7890 115.5851 57.8183 30.2440 177.4187 88 Q 4.3652 7.3639 119.1056 53.1331 32.0399 172.9487 89 N 4.6160 8.8281 124.2253 53.2346 40.0107 175.2831 90 S 4.1206 8.6927 123.6522 61.6318 63.2222 176.3362 91 K 3.9873 8.1530 123.3985 58.8709 31.8883 178.1919 92 E 4.4744 8.8232 120.4871 59.1649 29.5081 178.7922 93 D 4.3737 8.3813 117.9896 57.1063 41.1440 178.2947 94 W 4.1283 8.4126 128.8122 60.6128 30.7906 177.5382 95 E 3.7711 8.6990 118.9414 59.6220 28.9321 179.5143 96 S 3.9847 8.3536 113.0236 61.6208 62.4512 176.5328 97 R 3.8191 7.8904 120.6452 59.1149 29.7782 178.9848 98 I 3.1436 7.6049 118.7473 63.7399 37.7440 178.2922 99 R 3.7936 7.7025 118.7151 59.1414 30.0550 178.6286 100 A 3.9161 7.8135 120.5604 55.5187 18.1573 179.5906 101 Q 4.0124 8.1941 115.9630 58.3103 28.7316 178.6502 102 R 4.1158 7.8054 119.3490 58.7805 30.2203 178.9252 103 T 3.8481 8.6406 116.0451 66.8385 68.4797 176.0738 104 K 3.8307 7.8002 120.4367 60.1988 32.1189 178.1546 105 L 4.0760 7.9503 118.6210 57.9901 41.6714 179.6955 106 R 3.7631 8.4122 118.7703 59.1018 29.8189 178.5560 107 E 4.0380 8.4207 118.8787 59.2222 29.7936 178.7786 108 L 4.0713 7.9346 117.7060 56.4636 41.7018 178.5083 109 R 4.2872 7.2798 118.1174 58.3675 30.9084 177.7065 110 D 4.2784 7.3744 115.6768 57.0873 40.8367 178.0217 111 E 4.0564 8.1853 119.0343 57.5959 29.6827 176.9175 112 G 4.0573 8.4308 106.8826 45.9162 0.0000 174.8114 113 T 3.9595 7.6783 115.2728 66.3204 68.5288 173.4223 114 L 4.6754 8.2131 120.2448 52.7372 43.3797 176.9618 115 S 4.3939 8.4563 118.1728 57.6535 63.5816 175.2802 116 S 4.0162 8.7920 117.3647 61.1523 62.3854 176.3393 117 S 4.4203 7.8838 115.9758 60.3012 63.4506 176.0165 118 Q 3.9960 8.8374 119.8952 57.8494 28.7899 177.3666 119 Y 4.1764 8.0117 120.3644 60.6149 38.7986 177.9028 120 R 3.4886 7.6758 118.8382 59.4093 30.2403 177.7924 121 D 4.3678 7.5821 117.3932 57.4224 41.1763 178.4213 122 L 4.0768 8.0161 119.2393 58.0543 41.6915 178.4351 123 Y 3.9797 8.3659 119.9458 61.1776 38.1149 178.2842 124 D 4.4208 8.5519 119.7551 57.3801 40.9043 178.9502 125 K 4.1016 8.1878 118.7698 58.9770 31.9309 179.4330 126 A 4.3973 8.8863 121.8687 55.1981 18.2360 179.6672 127 G 3.7156 8.1151 101.9581 46.4566 0.0000 174.7975 128 G 4.0274 7.6026 105.3227 43.7198 0.0000 174.1157 129 G 4.0977 8.9199 110.0924 46.6107 0.0000 175.9308 130 E 3.6565 8.3095 121.4117 57.4083 29.4878 177.2528 131 F 4.8631 6.8328 117.9926 55.3331 41.1637 175.3337 132 D 4.5170 8.6094 125.2094 57.1715 41.1547 175.9499 133 S 4.5499 7.4980 111.5110 56.2245 65.7642 175.0111 134 V 3.5503 8.3975 118.3669 65.9064 31.1095 177.6772 135 A 4.2460 7.8508 121.4430 54.8467 18.5300 179.0471 136 D 4.6399 8.1447 116.1101 56.7795 41.1445 178.3096 137 L 3.6021 7.6658 120.8232 58.0272 41.7784 178.4635 138 E 3.8886 8.4656 118.8056 59.7457 29.2335 179.2989 139 R 3.9521 8.2089 116.7217 59.7220 30.2482 177.7244 140 Y 4.3882 7.8174 117.3752 61.1656 38.9752 177.9834 141 I 3.6704 7.8815 119.4218 64.0569 38.5168 177.5264 142 D 4.5341 8.3708 120.3805 54.1438 37.2195 176.3187 143 A 3.9658 7.5711 125.4138 52.6671 18.8121 177.2932 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 T 8.17 4.25 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 1.20 0.00 0.00 2 D 8.47 4.56 0.00 2.69 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 3 L 8.32 5.39 0.00 1.94 1.90 1.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.43 4.13 0.00 4.06 4.12 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 5 A 7.99 4.03 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 6 Q 8.17 3.98 0.00 2.68 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 7 K 8.30 3.87 0.00 1.96 1.76 0.00 1.07 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.34 7.81 8 R 7.81 3.90 0.00 1.90 2.17 0.00 3.10 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 1.65 1.70 0.00 9 L 8.06 4.02 0.00 1.94 1.73 0.94 0.84 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 10 A 9.00 4.06 1.65 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 0.00 0.00 11 A 8.56 4.00 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 12 D 7.83 4.33 0.00 2.75 2.83 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 13 V 7.86 3.67 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 0.85 0.00 0.00 0.95 0.00 0.00 14 L 8.13 4.06 0.00 1.79 1.81 1.04 1.09 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 15 D 7.49 4.38 0.00 2.75 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 16 V 8.39 4.51 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 0.79 0.00 0.00 1.01 0.00 0.00 17 G 8.51 3.76 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 0.00 0.00 0.00 18 K 8.98 3.93 0.00 1.80 1.86 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.49 7.81 19 N 8.19 4.66 0.00 2.70 2.85 0.00 0.00 6.68 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 20 R 8.18 4.64 0.00 1.88 2.06 0.00 3.13 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 21 V 7.31 4.29 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 0.62 0.00 0.00 0.73 0.00 0.00 22 W 9.80 4.78 0.00 3.34 3.04 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 23 F 7.93 5.14 0.00 2.54 2.58 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 24 N 8.25 3.27 0.00 2.85 2.59 0.00 0.00 6.76 8.51 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 25 P 0.00 4.13 0.00 2.07 2.07 0.00 3.71 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 26 E 8.45 4.45 0.00 1.96 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 0.00 2.30 2.29 0.00 27 R 7.83 4.77 0.00 1.71 1.79 0.00 3.14 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 28 Q 8.38 3.99 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 29 G 8.01 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 30 D 7.91 4.47 0.00 2.81 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 31 I 8.00 3.57 1.61 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 1.10 0.64 0.28 0.00 0.00 32 A 8.35 4.00 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 D 7.48 4.78 0.00 2.58 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.58 4.18 1.22 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 35 I 8.55 4.05 1.86 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 1.55 0.89 0.91 0.00 0.00 36 T 7.51 4.37 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 1.25 0.00 0.00 37 R 8.31 3.96 0.00 1.88 2.02 0.00 3.14 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 38 E 8.17 3.95 0.00 2.07 1.94 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 2.38 2.47 0.00 39 D 8.31 4.34 0.00 2.97 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 40 V 7.49 3.50 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 1.05 0.00 0.00 0.98 0.00 0.00 41 R 8.33 3.89 0.00 2.05 1.99 0.00 3.39 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 42 E 8.35 3.82 0.00 2.20 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 2.51 2.38 0.00 43 L 8.09 3.90 0.00 1.82 1.64 0.78 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.60 3.87 2.25 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 1.22 0.00 0.00 1.01 0.00 0.00 45 D 8.18 4.54 0.00 2.80 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 46 E 8.22 4.29 0.00 2.09 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 2.35 2.49 0.00 47 G 8.41 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 48 A 8.33 4.38 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 49 I 7.82 5.17 1.93 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.11 1.19 0.00 0.00 50 Q 9.70 4.78 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 51 A 8.39 5.11 1.23 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 52 K 9.13 4.15 0.00 1.78 1.77 0.00 1.67 0.00 0.00 1.93 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.43 7.81 53 D 8.49 4.68 0.00 2.65 2.58 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 54 K 8.14 4.37 0.00 1.86 1.80 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.41 7.81 55 K 8.32 4.21 0.00 1.74 1.74 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.43 7.81 56 G 8.21 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 57 N 8.90 4.28 0.00 2.70 2.80 0.00 0.00 7.21 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 58 S 8.60 4.25 0.00 3.86 3.81 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 59 R 8.60 4.56 0.00 1.84 1.93 0.00 3.15 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 60 G 8.05 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 0.00 0.00 0.00 61 R 7.95 4.00 0.00 1.87 2.00 0.00 3.13 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 62 A 7.78 4.01 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 63 R 8.21 3.90 0.00 1.96 1.99 0.00 3.13 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 1.65 1.89 0.00 64 E 8.00 3.98 0.00 2.11 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 2.32 2.31 0.00 65 R 7.72 3.89 0.00 1.99 2.09 0.00 3.11 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 1.64 1.89 0.00 66 Q 8.25 4.07 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 67 K 7.91 4.04 0.00 2.03 1.85 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.68 7.81 68 K 7.93 4.04 0.00 2.00 1.94 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.72 1.66 7.81 69 R 8.37 4.53 0.00 1.89 1.99 0.00 3.16 0.00 0.00 3.28 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.54 0.00 70 A 7.85 4.05 1.43 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 0.00 0.00 71 Y 8.01 4.29 0.00 2.93 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 72 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 73 H 8.84 4.83 0.00 3.33 3.26 0.00 5.75 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 8.71 3.84 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.52 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 75 K 7.88 4.68 0.00 1.69 1.74 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.64 7.81 76 G 8.26 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 77 A 8.50 4.18 1.27 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 *78 G 8.18 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.98 4.54 0.00 3.77 3.92 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 0.00 0.00 0.00 0.00 80 R 7.33 4.33 0.00 1.94 1.86 0.00 3.10 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 81 K 8.69 4.35 0.00 1.65 1.77 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.45 7.81 82 G 7.74 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 83 K 8.26 4.13 0.00 1.88 1.71 0.00 1.62 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.57 7.81 84 A 8.54 4.11 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 85 G 8.04 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 86 A 7.41 4.23 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 87 R 7.79 4.12 0.00 1.98 2.01 0.00 3.13 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 88 Q 7.36 4.37 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.09 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 89 N 8.83 4.62 0.00 2.81 2.75 0.00 0.00 6.95 7.63 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 90 S 8.69 4.12 0.00 4.10 4.12 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 91 K 8.15 3.99 0.00 1.86 1.97 0.00 1.77 0.00 0.00 2.09 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.60 1.54 7.81 92 E 8.82 4.47 0.00 2.34 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 2.22 0.00 93 D 8.38 4.37 0.00 2.93 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 94 W 8.41 4.13 0.00 3.49 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 95 E 8.70 3.77 0.00 2.20 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 2.52 2.86 0.00 96 S 8.35 3.98 0.00 3.84 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 97 R 7.89 3.82 0.00 1.90 1.82 0.00 3.32 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 98 I 7.60 3.14 0.56 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 0.84 0.57 0.00 0.00 99 R 7.70 3.79 0.00 1.84 1.91 0.00 3.22 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 100 A 7.81 3.92 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 0.00 101 Q 8.19 4.01 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 102 R 7.81 4.12 0.00 2.04 2.08 0.00 3.01 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.52 0.00 103 T 8.64 3.85 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 0.00 104 K 7.80 3.83 0.00 2.00 1.99 0.00 1.51 0.00 0.00 1.62 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.55 7.81 105 L 7.95 4.08 0.00 2.16 2.17 0.96 0.83 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 0.00 106 R 8.41 3.76 0.00 2.01 2.15 0.00 3.08 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 107 E 8.42 4.04 0.00 2.14 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 2.31 2.52 0.00 108 L 7.93 4.07 0.00 1.85 1.73 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 109 R 7.28 4.29 0.00 1.81 1.58 0.00 2.74 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.62 0.00 110 D 7.37 4.28 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 0.00 111 E 8.19 4.06 0.00 1.93 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 0.00 2.30 2.30 0.00 112 G 8.43 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 0.00 0.00 0.00 0.00 113 T 7.68 3.96 4.40 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 1.20 0.00 0.00 114 L 8.21 4.68 0.00 1.64 1.68 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.46 4.39 0.00 4.02 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 0.00 116 S 8.79 4.02 0.00 4.08 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 0.00 117 S 7.88 4.42 0.00 3.98 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 0.00 118 Q 8.84 4.00 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 119 Y 8.01 4.18 0.00 3.06 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 0.00 120 R 7.68 3.49 0.00 2.15 1.90 0.00 3.07 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 121 D 7.58 4.37 0.00 2.66 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.02 4.08 0.00 1.92 1.68 0.94 0.99 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 0.00 123 Y 8.37 3.98 0.00 2.35 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 0.00 124 D 8.55 4.42 0.00 2.99 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 0.00 125 K 8.19 4.10 0.00 2.22 1.75 0.00 1.82 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 3.60 0.00 0.00 0.00 0.00 1.48 1.93 7.81 126 A 8.89 4.40 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 0.00 127 G 8.12 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 0.00 128 G 7.60 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.92 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 0.00 130 E 8.31 3.66 0.00 1.16 1.12 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 2.18 2.09 0.00 131 F 6.83 4.86 0.00 3.41 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 0.00 132 D 8.61 4.52 0.00 2.75 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 0.00 133 S 7.50 4.55 0.00 3.96 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 0.00 134 V 8.40 3.55 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 1.09 0.00 0.00 0.93 0.00 0.00 135 A 7.85 4.25 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 0.00 136 D 8.14 4.64 0.00 2.89 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 0.00 137 L 7.67 3.60 0.00 1.68 1.68 -0.32 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.47 3.89 0.00 2.16 1.97 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 2.30 2.64 0.00 139 R 8.21 3.95 0.00 1.96 2.14 0.00 3.24 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 140 Y 7.82 4.39 0.00 3.27 3.33 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 0.00 141 I 7.88 3.67 1.95 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 1.50 0.87 0.87 0.00 0.00 142 D 8.37 4.53 0.00 2.72 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.57 3.97 1.23 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 * Residues marked with a * may have inaccurate shift predictions.