NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-1 G 3.8677 8.3544 109.7364 45.5009 0.0000 174.8413 0 H 3.9062 8.6802 120.8101 57.3646 30.0130 172.7341 2 D 4.4076 8.6804 118.2235 55.6461 41.1984 175.1276 *4 Q 4.2685 7.8031 122.5520 56.1462 31.0259 176.6550 5 H 4.1856 8.2630 116.5860 59.1832 29.8861 177.1148 6 R 3.6984 8.4043 120.7831 59.4408 30.0227 178.1113 7 I 3.7660 7.8614 119.1449 64.9996 37.1584 178.5127 8 R 4.0220 7.9384 117.8779 58.9731 29.8356 178.9491 9 Q 4.0181 8.1600 119.8381 58.9399 28.9254 178.1891 10 L 4.0013 8.0527 120.1940 57.6645 41.6579 179.1196 11 F 3.8633 8.4630 117.7797 60.9853 38.8729 177.9146 12 Q 4.0504 8.3288 117.1267 58.8551 28.3783 178.7578 13 A 3.9765 8.2530 121.9978 54.9458 18.4188 179.5315 14 S 3.9760 8.2800 111.9065 61.6185 62.4655 176.4221 15 I 3.7056 7.8779 122.3981 64.6338 36.8860 178.3842 16 E 4.2861 8.3358 120.7715 59.1912 29.2378 179.5154 17 T 3.8961 8.2853 116.2126 66.5660 68.4537 176.8690 18 K 4.0053 8.1665 120.4694 59.5375 31.5589 179.4637 19 Q 4.1261 8.1638 118.4059 58.9834 28.4407 178.9176 20 Q 4.0368 8.2131 119.0518 58.7221 28.7839 178.4055 21 A 3.9810 8.1914 121.9564 55.1181 18.2234 179.1802 22 L 4.0008 8.1460 118.1076 58.5719 42.1470 178.6866 23 E 4.2557 7.8113 116.1905 57.9078 29.6416 177.7141 24 V 4.5102 7.4864 108.9162 60.4468 34.3938 177.1503 25 L 4.4147 8.6219 120.4181 56.6188 41.5482 176.9217 26 P 4.2701 0.0000 0.0000 65.5150 31.2398 176.5556 27 P 4.1339 0.0000 0.0000 65.8146 31.1455 178.2646 28 Y 4.1217 7.8282 115.0048 60.7569 37.9233 178.0675 29 I 3.7388 8.0543 120.9889 64.2330 37.2628 177.9660 30 E 3.9057 8.3295 120.2312 59.3701 29.5030 178.5080 31 Q 3.9056 8.1714 119.2859 59.1692 28.8468 178.1737 32 A 3.9927 8.1675 121.1307 55.3259 18.5603 179.6240 33 S 4.2352 7.9991 111.1437 60.9668 63.3033 176.2716 34 L 4.1187 7.8574 124.4730 57.9379 41.8750 179.9238 35 V 3.6847 7.4722 115.3304 63.5840 31.2655 177.5831 *37 V 3.9723 7.7405 118.2361 62.5298 33.3584 177.1106 38 N 4.2753 8.6134 117.2400 56.2479 38.3135 176.9647 39 A 3.9801 7.9569 122.0338 55.4770 18.5574 179.7766 40 L 4.0114 7.8515 116.7291 57.8581 41.5347 179.4796 41 L 4.0500 8.0421 118.4912 57.5593 41.5701 178.0810 42 N 4.7662 7.9589 114.6159 53.1485 39.4416 174.8873 43 E 3.7554 7.9514 116.9637 57.3711 27.6573 175.2198 44 G 4.1424 8.2667 107.0112 45.7067 0.0000 173.2265 45 K 5.0192 9.1348 117.9151 55.1694 36.8508 175.1477 46 I 5.0268 8.7438 121.5207 59.6391 39.7523 174.8125 47 L 5.3381 9.1376 127.3542 53.1212 43.7097 175.7120 48 S 5.2859 8.9303 117.0788 56.9499 66.6236 172.5690 49 C 4.2930 8.3053 115.2321 57.4784 32.9254 172.7180 50 G 4.5727 7.8870 104.5383 45.8559 0.0000 172.2764 51 N 5.2201 8.6270 117.8242 50.7684 42.2050 177.8677 52 G 3.8622 9.0064 110.7502 46.7257 0.0000 178.1474 53 G 3.7094 8.9269 114.1097 47.6323 0.0000 174.9589 54 S 4.3220 8.4606 116.4922 60.8649 62.8264 176.1476 55 A 4.2304 7.9449 124.0908 55.0935 18.0528 179.7674 56 G 3.6325 8.1125 103.5814 48.1150 0.0000 175.2506 57 D 4.4201 8.1974 120.9697 57.0030 40.7544 178.4769 58 A 4.0086 8.0266 121.3058 55.4887 18.3360 179.7613 59 Q 4.0258 8.2446 115.9454 59.3447 28.8197 177.8547 60 H 4.1734 8.9502 120.5599 59.1279 29.8175 176.5976 61 F 4.0338 8.5229 122.8317 61.7184 39.1958 177.3173 62 S 3.9882 8.1303 113.7566 60.9333 62.9471 176.4594 63 S 4.1127 8.3319 118.5546 60.9502 62.8353 176.1938 64 E 3.8175 8.0099 121.2312 59.3462 29.3402 178.9602 65 L 3.7695 7.2736 120.7413 56.8276 41.4018 179.3328 66 L 4.1446 7.3705 120.0122 56.9823 42.3707 177.9889 67 N 4.1092 7.9829 115.1244 53.6022 38.9164 175.8786 68 R 3.6787 7.5357 116.8339 56.8066 27.4048 177.8194 69 F 4.3158 6.8278 116.0670 60.0952 39.5724 177.3255 70 E 3.9639 8.2234 124.4609 59.5130 29.9014 178.1635 71 R 4.4813 7.6440 120.1605 55.6223 33.1412 175.9156 72 E 4.2957 8.5842 122.6816 54.6366 28.1730 172.1501 73 R 4.5663 7.4091 120.5346 52.8172 33.1752 173.9281 74 P 4.1060 0.0000 0.0000 62.3369 31.6768 176.6790 75 S 4.1426 8.3615 116.2906 58.3422 62.6646 173.1831 76 L 4.8712 8.3784 126.7593 52.1682 44.9591 174.7627 77 P 4.8529 0.0000 0.0000 62.2260 29.8879 172.8253 78 A 5.1774 8.0019 127.1525 50.7746 21.8041 175.4235 79 V 4.4644 8.9876 122.5027 60.8218 34.8631 174.6475 80 A 4.6931 8.6111 129.3873 51.2748 19.1960 176.7209 81 L 4.3312 8.9159 122.5510 54.4846 42.7820 177.2711 82 T 4.4950 8.5660 118.2678 61.3796 69.0178 173.4582 83 T 4.4099 8.2896 109.5474 63.1491 70.2968 174.0426 84 D 4.4115 7.8351 121.0433 53.0686 42.0489 175.3939 *86 S 4.0820 8.1988 119.7860 58.4257 64.0309 173.3546 *96 S 4.1887 8.2474 116.7898 58.5264 62.8884 172.9074 *97 Y 4.3391 8.1962 121.2568 57.1164 37.8673 175.8132 98 N 4.5175 8.1703 117.6574 54.5553 38.9903 175.8405 99 E 4.5336 7.7387 117.2898 56.1421 29.1640 178.0341 100 V 3.6224 7.5064 114.8840 64.2849 31.4730 178.3399 101 F 4.5514 7.7852 117.2721 60.7415 39.1180 177.8600 102 S 4.2378 8.2582 113.3079 61.5982 62.3180 176.4910 103 K 4.0096 8.2551 122.0023 59.3435 31.7521 179.3331 104 Q 4.0572 7.6960 116.0887 58.8428 28.7477 178.4713 105 I 3.7304 7.8685 120.8494 64.6501 36.9558 178.7815 106 R 4.1621 8.0471 117.3515 58.9121 29.8789 178.6321 107 A 4.1843 7.5613 119.9893 54.3419 18.6482 178.7208 108 L 4.5144 8.2969 115.9749 54.7842 43.2561 177.8339 109 G 3.8119 7.9354 107.7887 45.4356 0.0000 172.8592 110 Q 4.6540 8.9266 120.3014 52.6267 32.5536 173.4055 111 P 4.8080 0.0000 0.0000 63.9150 31.7218 176.4035 112 G 4.0242 9.0591 111.7532 45.3771 0.0000 173.4078 113 D 4.7403 7.7262 118.4917 54.4972 42.0656 175.9793 114 V 4.5736 8.4614 119.4170 61.1228 34.6731 173.9846 115 L 4.8303 8.7979 130.5822 53.6487 43.4855 175.1533 116 L 4.7030 8.8501 130.5041 54.4952 43.0753 175.0688 117 A 5.0199 9.1339 129.4812 50.0965 21.6857 174.8297 118 I 4.8622 8.2493 123.4575 59.5207 40.3891 174.8529 119 S 4.8120 8.8407 120.5005 57.5274 65.4290 175.1586 120 T 4.0254 8.8177 117.3543 64.4582 69.4564 176.7142 121 S 4.2012 8.2569 115.3487 58.4837 63.9209 175.1464 122 G 4.1178 8.2372 106.7930 46.3645 0.0000 173.2074 123 N 4.8023 7.5372 115.3159 52.6653 39.6562 175.7906 124 S 4.2281 7.9046 115.6391 58.1917 64.1948 174.8239 125 A 4.0447 8.6884 128.7313 55.0362 18.2669 179.1614 126 N 5.0164 8.0082 116.6121 55.5512 37.4547 177.6395 127 V 3.7913 7.8626 120.1924 65.5931 31.8662 177.6657 128 I 3.6988 7.8514 119.6859 64.8521 36.9683 178.4023 129 Q 4.0422 8.4363 118.4786 58.6567 28.4330 178.7324 130 A 4.0232 8.1555 121.9176 55.2789 18.3950 179.4205 131 I 3.5012 7.9561 118.6119 64.6635 37.1253 178.0936 132 Q 3.9370 7.9290 119.4290 59.3095 28.6516 178.1353 133 A 3.9745 7.9805 120.1289 55.3538 18.5800 178.9814 134 A 4.0828 8.3670 119.3618 55.8102 18.4266 179.5819 135 H 4.2580 8.3885 114.7481 59.2239 28.5837 177.8061 136 D 4.5124 8.4167 119.6314 56.4499 40.7744 177.8863 137 R 4.5465 7.6652 117.0868 54.2740 30.9247 173.4329 138 E 3.7639 7.8216 123.4756 56.2108 26.7950 173.2134 *140 L 4.5594 7.6790 121.9194 54.3585 44.1668 175.5780 141 V 4.7555 8.7191 120.2946 61.1688 34.8220 174.2675 142 V 4.7546 8.9249 128.1598 61.2316 33.5561 174.0090 143 A 5.0516 8.6946 130.6095 50.2089 21.2544 175.0902 144 L 4.8192 8.8088 124.4248 54.4576 43.0900 176.5279 145 T 5.7504 8.3774 113.8857 59.7840 73.3336 171.8020 146 G 4.1164 8.2109 105.1827 45.7054 0.0000 174.7047 147 R 3.7085 8.3825 121.7157 57.7929 29.5474 177.7806 148 D 4.5942 9.0178 126.2612 53.9645 39.8025 176.7336 149 G 3.8519 8.2174 110.1584 44.0478 0.0000 175.0953 150 G 4.0317 8.2217 108.0015 45.2451 0.0000 175.7529 151 G 3.7259 8.4319 107.7017 45.1963 0.0000 175.6611 *153 A 4.2879 8.1386 124.6087 51.7085 20.5275 179.9724 154 S 4.2316 7.7562 109.0325 60.6764 63.2675 175.2793 155 L 4.2995 7.7190 119.1199 55.4326 42.0532 176.6872 156 L 4.2701 7.3556 119.2945 54.5795 41.8990 177.2101 157 L 4.3418 8.8165 124.2120 53.4667 42.3743 176.5195 158 P 4.3733 0.0000 0.0000 65.2618 31.3522 177.8185 159 E 4.1745 8.0287 116.0855 57.9843 29.8381 176.4936 160 D 4.8293 7.7605 118.6261 54.0420 42.1793 175.8717 161 V 4.5229 8.6034 119.4463 61.1692 34.7207 173.6693 162 E 4.9703 8.9348 127.9550 54.5660 31.9451 175.4108 163 I 4.1526 8.7993 128.0531 59.4782 38.8170 173.5460 164 R 4.7749 7.8677 126.6376 53.5977 31.0970 175.8013 165 V 3.6947 8.7868 128.9913 61.9065 32.4011 174.8869 166 P 4.7911 0.0000 0.0000 61.2680 29.8578 174.8301 167 S 4.5775 7.3722 116.1722 58.0850 65.7414 174.0838 168 K 4.4272 8.5028 121.6378 56.1878 33.0106 176.7779 169 I 4.2686 7.8731 122.3155 59.9926 38.3227 175.6944 170 T 3.7949 8.6214 122.1591 67.1980 68.4728 175.7933 171 A 4.1356 7.9977 121.4183 55.5827 18.4189 179.7968 172 R 3.8649 7.8470 115.8571 59.3355 30.2015 179.1612 173 I 3.6196 8.0427 120.0279 64.3786 37.1108 178.3561 174 Q 3.9682 8.3285 119.2756 59.1874 28.4039 179.0266 175 E 3.9714 8.0686 119.2220 59.2270 29.4700 179.6100 176 V 3.6074 7.6718 117.9267 66.1203 31.6476 177.4828 177 H 4.1431 8.5575 116.5135 59.1957 28.5519 177.3274 178 L 3.9119 7.8166 121.2527 57.8465 41.9483 178.6437 179 L 3.9051 7.7057 120.0755 58.1966 42.0162 178.6124 180 A 4.0304 8.4993 120.9341 55.5377 18.3233 179.7509 181 I 3.7327 7.8343 118.0743 64.8640 37.3080 178.4506 182 H 4.4230 8.2765 117.1165 58.8668 28.3971 177.8171 183 C 4.1881 8.2976 118.7503 62.7076 27.9633 175.7332 184 L 4.0346 8.0915 120.6772 58.2454 41.1977 179.5676 185 C 4.1649 8.1712 116.1058 62.8110 28.0986 175.3959 186 D 4.3772 7.9659 119.2234 57.7195 40.8263 178.5840 187 L 4.1121 8.6589 119.5114 57.6812 41.5291 179.7163 188 I 3.6759 8.1651 120.2015 64.4809 37.1016 178.2082 189 D 4.4696 8.4347 120.0508 57.3490 40.7886 178.7815 190 R 3.9253 8.3848 119.0139 59.7931 29.9429 179.1998 191 Q 3.9848 7.7663 115.8101 58.4440 28.7299 178.0892 192 L 3.9843 7.4358 118.9214 55.8583 42.0681 177.5570 193 F 4.9328 8.3006 113.8341 56.6225 40.2333 175.6856 194 G 3.9416 8.0706 109.1374 45.5812 0.0000 174.0606 195 S 4.2498 8.5821 117.1535 58.6461 62.3321 173.6636 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 G 8.35 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 0 H 8.68 3.91 0.00 3.21 3.26 0.00 5.82 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 D 8.68 4.41 0.00 2.82 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 *4 Q 7.80 4.27 0.00 2.44 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 5 H 8.26 4.19 0.00 3.21 3.37 0.00 5.73 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.40 3.70 0.00 2.05 1.91 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 7 I 7.86 3.77 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.77 0.98 0.00 0.00 8 R 7.94 4.02 0.00 2.01 1.97 0.00 3.09 0.00 0.00 3.06 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 9 Q 8.16 4.02 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 10 L 8.05 4.00 0.00 1.99 1.69 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.46 3.86 0.00 3.23 3.15 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 12 Q 8.33 4.05 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 13 A 8.25 3.98 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 14 S 8.28 3.98 0.00 3.89 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 15 I 7.88 3.71 2.06 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.56 0.94 0.00 0.00 16 E 8.34 4.29 0.00 2.08 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 2.34 2.31 0.00 17 T 8.29 3.90 4.37 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 1.19 0.00 0.00 18 K 8.17 4.01 0.00 1.98 1.86 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.71 7.81 19 Q 8.16 4.13 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 20 Q 8.21 4.04 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 21 A 8.19 3.98 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 22 L 8.15 4.00 0.00 1.74 1.99 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 23 E 7.81 4.26 0.00 2.07 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 2.60 2.50 0.00 24 V 7.49 4.51 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 0.99 0.00 0.00 25 L 8.62 4.41 0.00 1.76 1.77 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.27 0.00 2.16 2.14 0.00 3.65 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 27 P 0.00 4.13 0.00 1.58 1.85 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 28 Y 7.83 4.12 0.00 3.13 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 29 I 8.05 3.74 1.91 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 1.44 1.16 0.94 0.00 0.00 30 E 8.33 3.91 0.00 2.12 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 2.29 2.31 0.00 31 Q 8.17 3.91 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 32 A 8.17 3.99 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 S 8.00 4.24 0.00 4.08 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 34 L 7.86 4.12 0.00 2.02 1.76 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.47 3.68 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 0.94 0.00 0.00 0.98 0.00 0.00 *37 V 7.74 3.97 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 0.97 0.00 0.00 0.90 0.00 0.00 38 N 8.61 4.28 0.00 2.73 2.84 0.00 0.00 6.93 7.27 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 39 A 7.96 3.98 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.85 4.01 0.00 1.80 1.72 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.04 4.05 0.00 1.74 1.72 0.88 0.94 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 42 N 7.96 4.77 0.00 2.71 2.82 0.00 0.00 7.07 7.81 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 43 E 7.95 3.76 0.00 2.15 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 2.25 2.38 0.00 44 G 8.27 4.14 0.00 0.00 0.00 0.00 0.00 0.00 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S 8.25 4.19 0.00 3.84 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 *97 Y 8.20 4.34 0.00 2.65 2.33 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 98 N 8.17 4.52 0.00 2.77 2.85 0.00 0.00 6.86 7.75 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 99 E 7.74 4.53 0.00 1.98 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 2.30 2.52 0.00 100 V 7.51 3.62 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 0.82 0.00 0.00 0.59 0.00 0.00 101 F 7.79 4.55 0.00 3.22 2.92 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 0.00 102 S 8.26 4.24 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 0.00 103 K 8.26 4.01 0.00 1.83 1.92 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.67 1.63 7.81 104 Q 7.70 4.06 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 105 I 7.87 3.73 2.03 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 1.51 0.56 0.89 0.00 0.00 106 R 8.05 4.16 0.00 1.80 2.01 0.00 3.17 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.97 0.00 107 A 7.56 4.18 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 0.00 108 L 8.30 4.51 0.00 1.62 1.73 0.94 0.96 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 0.00 109 G 7.94 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 0.00 0.00 0.00 110 Q 8.93 4.65 0.00 2.17 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.86 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 111 P 0.00 4.81 0.00 2.04 2.02 0.00 3.71 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.17 0.00 112 G 9.06 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.44 4.04 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 130 A 8.16 4.02 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 7.96 3.50 2.01 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 1.34 0.83 0.78 0.00 0.00 132 Q 7.93 3.94 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 133 A 7.98 3.97 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 0.00 134 A 8.37 4.08 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 0.00 135 H 8.39 4.26 0.00 3.37 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 D 8.42 4.51 0.00 2.78 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 0.00 137 R 7.67 4.55 0.00 1.78 1.94 0.00 3.43 0.00 0.00 3.30 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.80 0.00 138 E 7.82 3.76 0.00 2.23 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 2.23 2.27 0.00 *140 L 7.68 4.56 0.00 1.63 1.63 0.92 0.74 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 0.00 141 V 8.72 4.76 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 0.94 0.00 0.00 0.83 0.00 0.00 142 V 8.92 4.75 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 0.80 0.00 0.00 0.90 0.00 0.00 143 A 8.69 5.05 1.19 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 0.00 0.00 144 L 8.81 4.82 0.00 1.33 1.09 0.73 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.38 5.75 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 1.17 0.00 0.00 146 G 8.21 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 0.00 0.00 0.00 147 R 8.38 3.71 0.00 1.94 1.11 0.00 3.14 0.00 0.00 3.26 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 148 D 9.02 4.59 0.00 2.76 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 0.00 149 G 8.22 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 0.00 150 G 8.22 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 0.00 151 G 8.43 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 *153 A 8.14 4.29 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 0.00 154 S 7.76 4.23 0.00 4.00 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 0.00 155 L 7.72 4.30 0.00 1.67 1.80 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 156 L 7.36 4.27 0.00 1.66 1.64 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 157 L 8.82 4.34 0.00 1.76 1.68 0.61 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 158 P 0.00 4.37 0.00 2.04 2.12 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 159 E 8.03 4.17 0.00 1.94 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 2.31 2.38 0.00 160 D 7.76 4.83 0.00 2.75 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 0.00 161 V 8.60 4.52 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 1.09 0.00 0.00 0.96 0.00 0.00 162 E 8.93 4.97 0.00 1.93 1.66 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 2.06 2.23 0.00 163 I 8.80 4.15 1.81 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 1.17 0.64 0.90 0.00 0.00 164 R 7.87 4.77 0.00 1.78 1.70 0.00 2.99 0.00 0.00 2.25 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.39 0.00 165 V 8.79 3.69 2.04 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 0.87 0.00 0.00 1.02 0.00 0.00 166 P 0.00 4.79 0.00 2.21 2.06 0.00 3.82 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 1.98 1.95 0.00 167 S 7.37 4.58 0.00 3.80 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 0.00 168 K 8.50 4.43 0.00 1.75 1.79 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.41 7.81 169 I 7.87 4.27 1.85 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 1.51 1.05 0.89 0.00 0.00 170 T 8.62 3.79 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 0.00 171 A 8.00 4.14 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 0.00 172 R 7.85 3.86 0.00 1.92 1.95 0.00 3.28 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 173 I 8.04 3.62 1.87 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 1.45 0.70 0.64 0.00 0.00 174 Q 8.33 3.97 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 175 E 8.07 3.97 0.00 2.14 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 2.26 2.31 0.00 176 V 7.67 3.61 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 0.88 0.00 0.00 0.98 0.00 0.00 177 H 8.56 4.14 0.00 3.37 3.32 0.00 5.69 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.82 3.91 0.00 1.74 1.78 0.86 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 179 L 7.71 3.91 0.00 1.75 1.86 0.97 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 180 A 8.50 4.03 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 0.00 181 I 7.83 3.73 2.11 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 1.45 0.90 1.08 0.00 0.00 182 H 8.28 4.42 0.00 3.40 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 C 8.30 4.19 0.00 3.20 3.01 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 0.00 184 L 8.09 4.03 0.00 1.98 1.87 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 185 C 8.17 4.16 0.00 3.05 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 0.00 186 D 7.97 4.38 0.00 2.98 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 0.00 187 L 8.66 4.11 0.00 1.91 1.71 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 188 I 8.17 3.68 2.02 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 1.55 0.67 0.89 0.00 0.00 189 D 8.43 4.47 0.00 2.83 2.85 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 0.00 190 R 8.38 3.93 0.00 2.02 1.99 0.00 3.13 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 1.67 1.85 0.00 191 Q 7.77 3.98 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 192 L 7.44 3.98 0.00 0.56 0.13 0.64 0.61 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 0.00 193 F 8.30 4.93 0.00 3.03 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 0.00 194 G 8.07 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 0.00 195 S 8.58 4.25 0.00 3.84 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 * Residues marked with a * may have inaccurate shift predictions.