NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.8651 8.2676 118.0820 53.3321 40.0481 172.3287 3 I 5.5272 7.8221 117.0396 57.5905 40.3257 173.4680 4 G 2.7437 8.3981 111.5744 43.8687 0.0000 172.8837 5 V 4.4318 8.9292 125.8660 61.5576 33.2309 174.6134 6 I 4.4723 8.2335 129.8210 59.6274 39.3678 174.8174 7 I 4.5052 8.2190 122.5583 59.1511 39.3806 175.0452 8 L 4.4872 8.9176 128.8800 53.5094 42.5975 177.6976 9 A 4.9791 8.5151 129.2869 50.6752 19.0258 177.6467 10 A 4.2077 7.9917 126.6578 53.2467 20.4605 177.4413 *20 K 4.3272 8.5428 122.5769 55.2808 34.1573 176.8118 21 L 4.1496 7.6580 118.9134 56.2967 41.6337 178.1647 22 L 4.3940 7.5395 117.6398 55.1012 40.9431 176.1124 23 A 4.1513 7.8746 123.0309 52.1703 19.0189 177.5867 24 K 4.5746 8.4431 121.4998 55.5877 33.0658 176.1456 25 I 4.3379 8.2870 125.0008 60.2064 39.1128 175.5746 26 D 4.4091 9.0787 126.7901 56.7668 38.4469 174.0490 27 N 3.9966 8.1046 112.0481 53.1322 37.2074 172.5433 28 T 4.0475 7.7617 109.7599 61.9801 73.3514 171.6430 29 P 5.2265 0.0000 0.0000 61.9158 32.0840 176.8913 30 I 3.7420 8.2726 114.6604 63.9361 38.0524 178.5875 31 I 3.9081 7.6992 119.0478 61.4608 37.5209 177.5307 *33 R 4.2785 8.1356 119.4091 56.0786 31.7335 178.1409 34 T 3.9467 7.9529 113.3515 66.5061 68.2990 176.4671 35 I 4.0924 7.7191 121.4482 64.2643 37.2861 178.4939 36 R 3.9521 7.9295 118.4689 59.0809 29.6291 178.6859 37 I 3.5892 7.4177 117.5160 64.2199 38.1652 176.9858 38 Y 4.0908 7.8672 114.8280 57.4917 37.7570 177.4298 39 G 3.9883 8.1350 110.6393 47.1108 0.0000 174.5751 40 D 4.8344 8.5905 118.4737 54.0397 41.0157 176.0795 41 L 4.4818 7.3081 118.5729 53.2938 43.4558 176.9965 42 E 4.3389 8.6510 119.1844 56.9534 29.8144 176.1975 43 K 5.3619 8.7333 123.8301 54.4048 35.7481 175.9693 44 I 4.6671 8.4550 115.7033 59.2856 41.3825 173.8778 45 I 4.7813 8.3692 125.9264 59.8817 39.2066 174.5082 46 I 4.7620 8.3039 128.5081 60.1609 38.8323 175.4824 47 V 4.8095 8.7854 119.1817 60.2051 36.8586 177.8448 48 G 4.1721 8.6079 110.0033 45.5377 0.0000 175.3090 49 K 2.4800 8.4273 125.3702 58.3575 32.2516 175.5163 50 Y 4.7420 7.2819 114.3996 56.7163 38.5356 177.8450 51 V 3.5845 7.4946 114.8400 64.8860 31.7248 177.6009 52 N 4.3022 8.1113 114.7399 56.4930 38.1938 175.4945 53 E 4.3358 8.1458 116.2475 56.8295 29.5861 178.1152 *55 L 4.2701 7.9628 120.5466 54.5029 43.4949 177.1921 56 P 4.0694 0.0000 0.0000 65.7250 31.2051 177.0537 57 L 4.2623 7.7832 114.2467 54.8088 42.0312 176.3842 58 L 4.4518 8.8466 121.2330 53.0190 42.8946 176.2375 *60 D 4.6675 8.5344 122.2489 52.5630 40.8051 175.0930 61 Q 4.5889 8.4609 117.5589 54.2957 32.4583 175.2381 62 I 4.0593 8.0598 120.4760 60.8905 38.0232 174.9851 63 V 4.7227 8.2523 127.5976 61.0288 33.5535 174.6948 64 I 4.3412 8.3430 129.1790 59.6473 39.0269 174.1949 65 Y 4.7841 8.6129 129.5100 57.1547 39.6032 174.0009 66 N 4.5507 9.0771 127.1619 51.5102 39.6412 173.8362 67 P 4.1678 0.0000 0.0000 64.3936 32.0695 176.4595 68 F 4.6721 7.1236 118.2211 57.0482 39.0930 177.7056 69 W 4.2940 7.4146 119.9238 59.3499 27.8725 177.4221 70 N 4.0602 7.0693 116.0301 55.4421 38.6337 175.6064 71 E 3.9495 7.9863 117.4384 58.4418 30.0965 176.1452 72 G 4.0616 7.3065 103.8020 42.9276 0.0000 174.1050 73 I 3.7647 8.5887 119.4761 64.1309 38.2583 177.8086 74 S 4.1235 7.9755 115.8175 62.2058 62.2691 176.8763 75 T 3.9682 7.6255 111.7948 64.4292 68.4280 176.9112 76 S 4.0794 8.2780 118.0635 61.2216 62.9344 176.3334 77 L 3.8932 7.8149 122.4108 58.0964 41.8529 178.8155 78 K 3.8448 8.3794 118.8018 59.3513 31.7828 178.9168 79 L 4.0116 7.9610 119.4194 58.3253 42.1260 179.2399 80 G 3.6568 8.3650 105.3238 47.0891 0.0000 175.3265 81 L 3.9837 7.7261 122.9439 58.0337 41.8293 178.9792 82 R 3.8694 7.5833 117.1325 59.0013 30.0532 178.1911 83 F 4.1081 7.5970 117.3044 59.5407 39.5606 175.4930 84 F 4.7961 7.9685 115.8172 57.2866 40.5649 176.2094 85 K 3.9116 8.5996 127.0892 60.3467 31.8646 178.0072 86 D 4.6938 8.2721 116.0383 55.3797 40.2628 179.4475 87 Y 4.4829 8.3378 115.3673 58.7281 38.6590 176.4182 88 D 4.6753 9.4299 121.1430 57.4554 41.9624 176.5869 89 A 4.8183 7.8015 117.1977 51.0059 22.7985 175.4950 90 V 4.5821 9.3810 112.3677 59.5552 36.1322 175.1571 91 L 4.7841 8.6409 126.5211 53.3943 43.3605 175.8361 92 V 3.9236 8.5999 128.1358 62.5408 31.6132 174.6024 93 A 4.7189 8.6653 130.1247 50.4724 21.2398 175.3817 94 L 4.7127 8.3039 119.8741 52.8147 43.0009 176.6872 95 G 3.9025 9.1536 112.9586 49.3067 0.0000 174.3237 96 D 4.5967 7.8368 121.6919 51.5502 37.6446 174.7614 *98 P 4.1679 0.0000 0.0000 62.9188 33.4224 177.8236 99 F 4.9128 7.4030 116.6016 57.3558 39.5780 175.6764 100 V 4.0304 7.6069 120.5905 63.0793 32.1832 175.0793 101 T 4.5541 8.0378 121.0218 61.7822 69.9426 176.1296 102 K 3.7508 8.5714 124.4970 59.7288 32.0953 179.1458 103 E 4.0683 8.0677 118.9350 58.9936 29.6272 178.3163 104 D 4.3730 8.3249 119.7435 57.0720 40.7824 178.7272 105 V 3.5742 7.6399 118.3018 66.2061 31.5166 177.6676 106 N 4.3483 7.7985 114.8542 56.1281 38.1038 177.4882 107 K 3.9693 7.7355 118.6608 59.5781 32.2841 179.0246 108 I 3.9090 7.5181 118.7017 64.3256 37.2718 178.3346 109 I 3.9561 7.9422 113.8898 63.9260 37.6761 178.4819 110 N 5.0014 8.6223 118.7538 52.6478 38.4553 175.9597 111 T 4.6170 7.6861 113.5307 63.4073 72.8668 174.9069 112 F 4.5795 8.5738 126.5440 58.4566 37.7973 174.5715 113 K 4.4607 7.8353 127.8991 51.5370 34.1962 174.6847 114 P 3.6654 0.0000 0.0000 66.4216 31.5730 178.2850 115 N 4.4212 7.9365 114.2857 54.9608 37.8109 178.9196 116 C 4.5431 8.7687 119.8565 58.0269 39.7762 174.4000 117 K 4.2380 8.4134 127.6312 56.0954 32.5714 172.5347 118 A 4.4404 7.2646 117.8053 52.3186 22.5499 175.7495 119 V 5.0843 8.0512 118.8867 60.0794 34.2990 174.1833 120 I 4.4578 7.8392 129.5703 59.4176 38.5456 173.7138 121 P 4.8653 0.0000 0.0000 63.1003 32.5864 175.2294 122 T 5.2294 9.4973 117.5688 60.8072 71.5205 172.3017 123 H 5.0263 9.4139 128.8888 53.8478 32.7344 174.0760 124 K 3.8743 9.5239 130.5302 55.6393 29.0071 173.6193 125 G 3.9769 8.1661 106.7561 46.0135 0.0000 173.1826 126 E 4.3671 7.7955 120.2633 55.4046 30.5684 175.5424 127 R 4.9626 8.4849 122.1205 54.9976 32.1944 176.2806 128 G 4.1957 9.2766 113.5114 44.8226 0.0000 170.8900 129 N 5.3232 8.5979 118.4027 50.5610 43.5516 171.9910 130 P 4.9521 0.0000 0.0000 61.7981 32.5573 176.2938 131 V 3.7878 8.4673 123.8544 62.7077 33.3614 174.4903 132 L 4.8746 8.3653 129.5301 53.7890 43.2589 174.6225 133 I 4.7914 8.6915 128.8778 59.7253 39.1140 175.6868 134 S 4.6637 8.4105 123.1728 57.5616 64.7644 176.0594 135 K 2.0000 8.7736 125.0704 57.2500 31.3403 179.5710 136 S 4.3304 7.8591 111.3670 59.6678 62.9033 174.4181 137 L 4.7234 8.4921 120.9940 54.6772 44.2766 178.3798 138 F 4.3877 8.4225 118.5165 61.1251 38.6174 177.1846 139 N 4.3963 8.3479 114.3074 56.6348 38.6930 175.9426 140 E 4.1511 8.9407 121.6194 58.9158 29.8788 178.6128 141 I 3.7897 7.9118 114.5210 64.0795 38.1661 177.7870 142 E 4.1701 8.2013 117.3055 57.6948 29.3725 181.5788 143 K 4.5248 7.5173 118.4600 55.2607 33.3287 182.0395 144 L 4.3527 7.7141 119.7463 56.5838 41.3170 177.0646 145 R 4.5686 8.2285 117.9326 55.2780 33.3936 176.7691 146 G 3.8444 8.6034 107.6136 46.2136 0.0000 173.3886 147 D 5.0945 8.1965 114.6736 53.5058 39.6433 173.8175 148 V 3.7126 7.0606 115.4438 59.4186 32.0719 177.4972 149 G 3.8378 8.3111 104.7706 44.2904 0.0000 174.1858 150 A 4.1565 8.8478 122.3666 55.3539 18.0318 180.4859 151 R 3.9208 8.1089 119.1994 62.1578 29.1375 183.4846 152 V 3.8644 7.1794 110.4174 64.1487 31.6604 178.4178 153 I 4.0696 7.7802 119.0175 63.9277 37.3227 178.1144 154 L 4.0053 7.9381 119.1663 57.6879 41.1779 178.2393 155 N 4.9586 8.0684 116.1820 54.1096 38.6726 176.1794 156 K 4.5568 7.9550 121.7003 54.4354 34.4171 181.6718 157 I 3.7671 7.3267 119.1986 62.0294 36.9986 176.4801 158 K 3.8239 8.8164 125.5657 55.0544 31.6148 175.3568 159 I 4.1932 8.8049 127.7771 63.9351 37.8055 176.9359 160 E 4.2795 8.1573 113.5329 57.1366 29.7204 180.3786 161 E 4.5254 9.4683 116.6155 57.1156 30.3601 175.6908 162 L 4.1990 7.5687 118.7667 54.1778 43.4121 177.4448 163 C 4.7857 8.1331 118.7652 55.2645 42.7558 174.0361 164 F 5.2294 8.4947 122.4599 56.4842 40.6170 175.3613 165 I 4.2488 7.9624 116.0147 60.5365 41.1206 174.0517 166 E 4.6478 8.8673 127.5112 57.0846 30.4177 175.8817 167 C 4.9132 9.2940 122.0347 57.4294 32.5161 173.3538 168 S 4.2467 9.0697 114.9527 58.6174 62.4085 174.3188 169 E 4.0817 8.4591 119.7901 57.2414 29.2023 178.3632 170 G 4.3173 8.2397 108.9580 46.5298 0.0000 174.9552 171 V 4.0100 7.4030 119.7031 63.2616 31.4718 176.4283 172 L 4.7470 8.0321 116.1071 54.8006 43.6165 176.1990 173 I 4.6479 7.2120 111.5146 58.9436 39.8485 173.9720 174 D 5.0719 8.2567 119.9865 52.3012 42.9292 174.1434 175 I 4.4274 8.0799 120.2861 60.5237 39.2900 174.0284 176 D 4.4316 7.8226 121.4844 54.5757 43.9894 174.0499 177 K 4.6934 8.7134 118.9601 54.2961 35.3768 175.6470 178 K 4.5564 8.4377 119.1462 54.6339 34.1831 176.1198 179 E 4.6328 8.2139 121.2644 54.9721 31.9559 175.6549 180 D 4.1869 8.2555 117.9800 55.3589 41.8939 176.3883 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 2 N 8.27 4.87 0.00 2.89 2.54 0.00 0.00 6.56 6.43 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 3 I 7.82 5.53 1.83 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.99 0.89 0.00 0.00 4 G 8.40 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 0.00 0.00 0.00 5 V 8.93 4.43 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 0.51 0.00 0.00 0.91 0.00 0.00 6 I 8.23 4.47 1.81 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 1.50 0.54 0.88 0.00 0.00 7 I 8.22 4.51 1.71 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 1.14 0.68 0.61 0.00 0.00 8 L 8.92 4.49 0.00 1.58 1.63 0.90 0.52 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 9 A 8.52 4.98 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 10 A 7.99 4.21 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 *20 K 8.54 4.33 0.00 1.72 1.87 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.04 7.81 21 L 7.66 4.15 0.00 1.61 1.68 0.88 0.48 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 22 L 7.54 4.39 0.00 1.68 1.66 0.86 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.87 4.15 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 24 K 8.44 4.57 0.00 1.86 1.82 0.00 1.52 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.38 7.81 25 I 8.29 4.34 1.87 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.97 0.99 0.00 0.00 26 D 9.08 4.41 0.00 2.83 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 27 N 8.10 4.00 0.00 2.77 2.77 0.00 0.00 7.13 7.70 0.00 0.00 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 T 7.76 4.05 4.38 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 1.19 0.00 0.00 29 P 0.00 5.23 0.00 2.00 1.97 0.00 3.71 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 30 I 8.27 3.74 1.74 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 1.36 0.49 0.95 0.00 0.00 31 I 7.70 3.91 1.90 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 1.27 1.17 0.92 0.00 0.00 *33 R 8.14 4.28 0.00 1.99 1.93 0.00 3.39 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 34 T 7.95 3.95 4.36 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 1.37 0.00 0.00 35 I 7.72 4.09 1.89 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 1.52 0.94 0.94 0.00 0.00 36 R 7.93 3.95 0.00 2.00 1.98 0.00 3.13 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 37 I 7.42 3.59 1.69 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.15 1.06 0.00 0.00 38 Y 7.87 4.09 0.00 3.27 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 39 G 8.14 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 0.00 0.00 0.00 40 D 8.59 4.83 0.00 2.71 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 41 L 7.31 4.48 0.00 1.77 1.66 1.05 0.90 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 42 E 8.65 4.34 0.00 2.23 2.22 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 2.62 2.69 0.00 43 K 8.73 5.36 0.00 1.61 1.65 0.00 1.75 0.00 0.00 2.00 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.65 7.81 44 I 8.45 4.67 1.44 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.79 0.12 0.00 0.00 45 I 8.37 4.78 1.82 0.00 0.00 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 1.19 0.52 0.87 0.00 0.00 46 I 8.30 4.76 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.89 0.93 0.00 0.00 47 V 8.79 4.81 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 0.80 0.00 0.00 1.03 0.00 0.00 48 G 8.61 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 0.00 0.00 0.00 0.00 49 K 8.43 2.48 0.00 0.79 0.95 0.00 1.33 0.00 0.00 1.05 0.00 0.00 2.44 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.30 0.24 7.81 50 Y 7.28 4.74 0.00 2.96 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 51 V 7.49 3.58 1.86 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 0.66 0.00 0.00 0.62 0.00 0.00 52 N 8.11 4.30 0.00 2.63 2.84 0.00 0.00 6.90 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 53 E 8.15 4.34 0.00 2.30 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 2.35 2.34 0.00 *55 L 7.96 4.27 0.00 1.80 1.72 0.87 1.02 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 56 P 0.00 4.07 0.00 2.01 2.13 0.00 3.75 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 57 L 7.78 4.26 0.00 1.61 1.68 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.85 4.45 0.00 1.48 1.54 0.90 0.89 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 *60 D 8.53 4.67 0.00 2.81 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 61 Q 8.46 4.59 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.44 6.96 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 62 I 8.06 4.06 1.72 0.00 0.00 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 1.23 0.94 0.51 0.00 0.00 63 V 8.25 4.72 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 0.83 0.00 0.00 0.89 0.00 0.00 64 I 8.34 4.34 1.75 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 0.95 0.51 0.86 0.00 0.00 65 Y 8.61 4.78 0.00 2.89 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 66 N 9.08 4.55 0.00 2.72 2.67 0.00 0.00 6.55 7.60 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 67 P 0.00 4.17 0.00 1.73 1.95 0.00 3.29 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.36 0.00 68 F 7.12 4.67 0.00 3.07 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 69 W 7.41 4.29 0.00 3.58 3.35 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 70 N 7.07 4.06 0.00 1.56 2.38 0.00 0.00 7.02 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 71 E 7.99 3.95 0.00 2.09 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 0.00 2.29 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0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.73 3.98 0.00 1.92 1.67 0.72 -0.20 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 82 R 7.58 3.87 0.00 1.99 1.98 0.00 3.21 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 83 F 7.60 4.11 0.00 2.77 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 84 F 7.97 4.80 0.00 2.84 2.52 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 85 K 8.60 3.91 0.00 1.73 1.93 0.00 1.81 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.58 7.81 86 D 8.27 4.69 0.00 2.74 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 87 Y 8.34 4.48 0.00 3.21 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 88 D 9.43 4.68 0.00 2.84 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 *98 P 0.00 4.17 0.00 1.67 1.94 0.00 3.44 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.47 0.00 99 F 7.40 4.91 0.00 3.13 3.02 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 0.00 0.00 0.00 100 V 7.61 4.03 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 0.77 0.00 0.00 1.05 0.00 0.00 101 T 8.04 4.55 4.64 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 1.20 0.00 0.00 102 K 8.57 3.75 0.00 1.75 1.82 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.66 1.43 7.81 103 E 8.07 4.07 0.00 1.99 1.93 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 2.37 2.34 0.00 104 D 8.32 4.37 0.00 2.97 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.64 3.57 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 1.20 0.00 0.00 0.63 0.00 0.00 106 N 7.80 4.35 0.00 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3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 115 N 7.94 4.42 0.00 2.74 2.73 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 0.00 116 C 8.77 4.54 0.00 3.10 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.41 4.24 0.00 1.45 1.80 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.34 1.26 7.81 118 A 7.26 4.44 1.16 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 0.00 0.00 119 V 8.05 5.08 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 0.96 0.00 0.00 1.05 0.00 0.00 120 I 7.84 4.46 1.84 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.61 1.07 0.00 0.00 121 P 0.00 4.87 0.00 2.17 2.23 0.00 3.78 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.91 0.00 122 T 9.50 5.23 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 1.42 0.00 0.00 123 H 9.41 5.03 0.00 3.34 3.15 0.00 6.03 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 9.52 3.87 0.00 1.98 1.70 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.75 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.24 7.81 125 G 8.17 3.98 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 0.00 126 E 7.80 4.37 0.00 2.22 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 2.46 2.44 0.00 127 R 8.48 4.96 0.00 1.88 2.02 0.00 3.55 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 128 G 9.28 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 0.00 0.00 0.00 129 N 8.60 5.32 0.00 2.67 2.71 0.00 0.00 7.19 8.14 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 0.00 130 P 0.00 4.95 0.00 2.14 2.16 0.00 3.45 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 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2.78 2.90 0.00 0.00 6.92 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 0.00 140 E 8.94 4.15 0.00 2.09 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 2.33 2.38 0.00 141 I 7.91 3.79 1.88 0.00 0.00 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 1.26 0.50 1.04 0.00 0.00 142 E 8.20 4.17 0.00 2.05 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 2.26 2.13 0.00 143 K 7.52 4.52 0.00 1.74 1.72 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.30 1.21 7.81 144 L 7.71 4.35 0.00 1.78 1.69 0.93 0.78 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 0.00 145 R 8.23 4.57 0.00 1.80 1.69 0.00 3.29 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 146 G 8.60 3.84 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 0.00 0.00 0.00 147 D 8.20 5.09 0.00 2.71 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 0.00 148 V 7.06 3.71 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 0.89 0.00 0.00 1.02 0.00 0.00 149 G 8.31 3.84 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 0.00 0.00 0.00 150 A 8.85 4.16 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 R 8.11 3.92 0.00 1.83 1.98 0.00 3.28 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.32 0.00 152 V 7.18 3.86 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 0.91 0.00 0.00 1.01 0.00 0.00 153 I 7.78 4.07 2.03 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 1.54 0.71 0.94 0.00 0.00 154 L 7.94 4.01 0.00 1.71 1.75 0.94 0.70 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 0.00 155 N 8.07 4.96 0.00 2.74 2.87 0.00 0.00 6.69 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 0.00 156 K 7.95 4.56 0.00 1.72 1.67 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 1.23 7.81 157 I 7.33 3.77 1.97 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 1.17 1.17 0.91 0.00 0.00 158 K 8.82 3.82 0.00 1.68 1.75 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.03 7.81 159 I 8.80 4.19 1.92 0.00 0.00 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 1.33 1.19 0.95 0.00 0.00 160 E 8.16 4.28 0.00 2.03 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 2.23 1.90 0.00 161 E 9.47 4.53 0.00 2.15 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 2.25 2.26 0.00 162 L 7.57 4.20 0.00 1.28 0.76 0.95 0.89 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 0.00 163 C 8.13 4.79 0.00 2.75 2.98 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 0.00 164 F 8.49 5.23 0.00 2.98 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 0.00 165 I 7.96 4.25 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.92 0.96 0.00 0.00 166 E 8.87 4.65 0.00 1.93 1.92 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 2.42 2.30 0.00 167 C 9.29 4.91 0.00 2.80 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 0.00 168 S 9.07 4.25 0.00 3.84 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 0.00 169 E 8.46 4.08 0.00 2.06 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 0.00 2.26 2.29 0.00 170 G 8.24 4.32 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 0.00 171 V 7.40 4.01 2.27 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 1.34 0.00 0.00 1.04 0.00 0.00 172 L 8.03 4.75 0.00 1.79 1.69 1.02 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 173 I 7.21 4.65 1.96 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.93 0.92 0.00 0.00 174 D 8.26 5.07 0.00 2.86 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 0.00 175 I 8.08 4.43 1.86 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.79 0.94 0.00 0.00 176 D 7.82 4.43 0.00 2.64 2.52 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 0.00 177 K 8.71 4.69 0.00 1.72 1.67 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.30 1.38 7.81 178 K 8.44 4.56 0.00 1.70 1.70 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.32 7.81 179 E 8.21 4.63 0.00 2.06 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 2.20 2.26 0.00 180 D 8.26 4.19 0.00 2.63 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 * Residues marked with a * may have inaccurate shift predictions.