NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3438 8.3149 120.1423 55.3840 33.7415 175.4975 2 P 4.2691 0.0000 0.0000 61.9139 32.0946 176.0759 3 A 4.3493 8.4096 122.3085 54.1807 19.1374 179.7256 4 S 4.3685 8.0591 111.9394 61.3576 62.9933 175.7457 5 M 3.9970 7.5883 120.2702 56.6725 32.2929 176.2254 6 Y 4.8185 7.4138 113.7413 57.0340 40.8107 177.0310 7 R 4.4088 8.5847 116.5676 57.5892 29.6711 176.2503 8 D 4.9640 7.3767 117.6929 53.5248 42.1894 176.9366 9 I 4.4303 8.0059 123.8309 59.5735 36.1851 174.6344 10 D 4.8505 7.8813 119.9992 52.7663 41.6342 177.7030 11 K 4.2369 7.8595 118.3048 55.0014 32.8136 174.6868 12 P 4.4075 0.0000 0.0000 62.2356 31.8806 176.2290 13 A 4.3085 8.4341 123.2580 52.5543 18.8487 177.4711 14 Y 4.9291 9.9727 125.5662 55.4734 38.6861 175.1769 15 T 4.2737 7.9463 112.4799 60.9576 71.2641 174.4482 16 R 4.1047 7.9271 120.9174 56.5622 28.9858 177.1106 17 R 3.9932 8.2729 122.7965 58.0097 30.3827 178.5081 18 E 4.0613 7.7659 114.4302 57.5705 29.7187 176.5918 19 Y 4.8209 7.6452 115.0232 57.2506 40.0504 175.2305 20 I 4.6036 7.2382 119.6974 59.4188 39.5031 174.9561 21 T 4.6363 8.0530 113.5982 60.8878 71.6524 173.1185 22 G 3.7999 8.7098 108.1089 46.7439 0.0000 173.7001 23 I 4.0159 7.7764 120.7114 59.3970 37.6616 174.6399 24 P 4.3475 0.0000 0.0000 62.4715 31.7894 176.4898 25 G 3.8367 8.2480 109.5098 45.0319 0.0000 173.4171 26 S 4.3847 8.2793 114.4899 57.8768 62.9847 174.3655 27 K 4.2291 8.6902 124.5804 57.1375 32.4861 177.0254 28 I 3.9046 7.5515 120.5089 61.2219 36.9875 175.8329 29 A 4.1803 10.5769 130.2292 55.0447 18.4498 177.4331 30 Q 4.7097 7.5522 110.5962 55.5535 32.7728 173.6265 31 H 4.5764 8.8716 116.7153 56.3847 31.0772 174.8736 32 K 5.0572 8.1384 117.2567 54.9109 33.9413 175.6762 33 M 4.7321 8.9839 123.8354 53.5548 36.2605 176.4920 34 G 3.5744 8.8073 107.1143 46.8177 0.0000 177.3531 35 R 4.3180 8.4945 117.7184 54.2730 28.5233 176.8920 36 K 4.2306 8.0593 119.6593 58.5243 33.1771 179.0561 37 Q 4.0651 7.9219 117.9745 57.5616 29.0422 175.8551 38 K 4.3742 7.6578 118.8607 55.2882 33.7731 174.9065 39 D 4.8949 8.4671 120.5721 52.2188 42.5174 178.1950 40 A 3.5791 8.2290 124.5919 54.8668 18.5056 178.7465 41 D 4.5549 7.9267 114.8432 56.5637 41.2503 177.3780 42 D 4.6793 7.8915 117.5483 54.6188 40.5958 175.4252 43 Y 4.8024 7.4792 117.3574 55.5990 40.6434 174.4194 44 P 4.4404 0.0000 0.0000 64.3749 32.1351 176.5980 45 V 5.3052 7.8993 118.2811 60.2786 34.0233 174.3849 46 Q 4.9418 8.7800 128.2226 54.4895 32.0439 173.5990 47 I 5.0972 8.4125 127.4356 59.6507 40.6936 175.0990 48 S 5.2421 9.2806 122.2367 56.6540 67.0079 172.8700 49 L 4.6664 8.6369 124.6120 53.7193 43.4942 175.0412 50 I 4.8473 8.5150 128.5934 59.5923 39.2537 175.4923 51 V 3.9790 8.5012 128.0076 63.0762 31.9404 176.4105 52 E 3.9590 8.8466 127.0241 57.3749 30.1811 176.5122 53 E 4.6891 7.8984 117.6883 54.2519 33.1422 175.2600 54 T 4.3956 8.4130 119.2210 64.0213 69.2386 174.2107 55 V 4.5829 8.6770 119.0734 60.7148 36.8529 172.5638 56 Q 5.0945 8.7038 119.3250 54.5622 31.8682 174.9932 57 L 4.8347 8.7081 124.3506 52.6856 44.1490 176.6878 58 R 4.4841 8.6220 123.7495 55.9502 31.1003 177.2892 59 H 4.2692 9.0548 118.2942 59.3099 28.1512 178.1806 60 G 3.4795 7.7411 107.3641 47.1458 0.0000 175.5878 61 S 4.1228 8.3755 115.9260 61.1856 62.5128 175.9757 62 L 3.9685 7.8547 121.2121 57.8781 41.3916 179.0537 63 E 3.8823 8.2681 118.7632 59.2859 29.4881 178.5500 64 A 4.0597 8.1296 121.0708 55.0533 18.4552 179.5840 65 S 4.1763 8.3283 112.4691 60.9921 63.6208 176.5263 66 R 3.7866 8.6959 122.7470 59.2082 29.7761 177.7924 67 L 3.9289 8.3644 120.5401 58.4424 41.8897 179.0565 68 S 4.1143 7.7610 113.1674 60.7462 62.9754 175.8301 69 A 4.1156 7.5201 124.3969 54.7006 18.8310 178.7238 70 N 4.1304 8.1301 115.1369 56.8688 39.1333 176.8992 71 R 3.9315 8.3309 120.3848 59.7460 30.0310 178.0404 72 H 4.1336 8.0884 118.0243 59.0069 29.6960 177.2473 73 L 3.6499 7.5503 120.2460 57.7816 41.3925 179.0928 74 I 4.0017 8.2154 120.0152 64.7022 36.8739 178.4058 75 K 3.8960 7.7648 118.5982 58.9640 32.0577 177.9727 76 E 4.2185 7.8263 117.3929 56.9172 30.0697 177.2810 77 L 4.6479 8.8792 117.8196 52.9094 43.0812 176.8627 78 G 4.2057 7.9901 105.8132 45.5555 0.0000 174.6880 79 E 4.2521 8.5988 118.8942 58.1028 29.4678 177.9582 80 E 4.6059 7.8193 117.2642 55.8845 31.2961 175.4583 81 G 4.1486 8.0051 107.7398 45.2702 0.0000 174.6102 82 D 4.6744 8.3751 120.2537 52.4067 39.7715 174.3771 83 Y 4.9203 7.3352 121.1398 55.8314 41.8532 173.7646 84 K 5.0603 8.6455 118.9790 56.3139 36.0970 174.4805 85 M 5.3658 9.1258 124.5231 53.9592 35.6544 174.1700 86 T 5.1172 9.6925 121.9587 61.8540 72.5769 172.9167 87 L 4.7620 8.9247 129.7089 53.6090 41.3974 176.1911 88 R 4.2693 8.4119 123.3804 57.7908 30.1832 177.1653 89 K 4.6096 7.7265 118.7570 55.0198 33.6646 175.6539 90 F 4.7639 8.4961 120.0353 55.0672 42.2252 174.6302 91 P 5.3481 0.0000 0.0000 61.9385 29.5676 175.6151 92 H 4.3582 8.0226 121.4215 59.1772 29.6886 175.9557 93 Q 4.1842 8.0301 121.7303 55.9626 29.7591 175.4986 94 V 4.3747 8.6433 127.7267 62.6124 32.5871 175.0575 95 L 4.8966 8.9334 127.3207 53.1996 44.4772 175.9317 96 R 5.6143 8.2097 120.5444 54.1354 33.7887 174.7540 97 E 4.4959 8.1783 117.4607 55.8922 33.0154 174.1359 98 N 4.8921 9.0075 126.7874 52.5473 37.8412 173.6203 99 K 4.3884 7.9167 124.1095 54.0863 32.3864 174.7500 *111 D 4.5095 7.9377 123.5004 54.8264 44.1295 172.2523 112 G 4.2168 8.9585 111.2535 46.7419 0.0000 172.8632 113 M 4.3698 9.2585 119.9588 54.8354 33.2140 176.0325 114 R 3.9049 7.8486 119.9995 57.3385 31.2241 175.9901 115 A 3.7680 8.6358 127.3574 53.3463 15.9742 177.0795 116 A 4.3108 7.8018 121.9907 53.4241 19.4236 178.1392 117 F 3.8242 8.3952 118.3423 58.3987 39.4300 175.0224 118 G 3.9376 7.9771 115.3084 46.1334 0.0000 172.0960 119 K 4.8236 8.6900 119.2503 54.9937 35.2733 176.1325 120 I 4.4114 8.3724 122.8481 62.0418 37.0391 176.2398 121 V 4.3304 8.7065 118.5777 60.6876 34.0824 175.6273 122 G 4.0450 7.3135 104.9365 46.7328 0.0000 172.0156 123 T 5.3211 7.6405 108.1509 60.7459 72.8139 172.3427 124 A 5.0210 9.1125 122.5940 51.0734 23.5016 174.7163 125 A 4.9901 9.0379 121.4131 50.3156 21.6022 176.2918 126 R 4.7027 8.6227 121.6632 55.2191 31.3785 176.0091 127 V 4.3968 8.7818 125.0625 61.0480 34.2473 174.5466 128 Q 4.6498 9.3564 127.3029 54.7028 30.1329 175.6000 129 A 4.2794 8.6429 126.8489 54.1426 18.9096 177.4798 130 G 4.0586 9.4847 110.4391 45.3328 0.0000 174.2185 131 E 4.3447 7.9810 118.9750 56.1817 31.0288 175.9717 132 Q 4.7551 8.3896 120.1988 55.3459 29.6144 175.1024 133 L 4.0277 9.1561 127.4990 57.2060 43.2854 176.2623 134 F 5.4149 7.8464 116.2826 56.0264 42.7964 174.4959 135 T 5.1349 9.0700 117.3637 62.2076 72.7723 172.9293 136 A 5.0371 9.3808 127.9166 50.2418 22.9881 174.4412 137 Y 5.1496 8.6431 116.5977 56.4254 41.9282 174.8005 138 C 5.1596 9.0525 118.0580 57.2623 34.2722 172.0690 139 N 5.0913 8.9621 115.5045 52.3199 39.3472 177.7400 140 V 3.6134 8.4253 122.6509 66.0435 32.4751 177.0779 141 E 4.1335 8.1777 118.7408 59.2761 29.7147 177.7200 142 D 4.7271 8.7134 116.8170 54.5109 41.0343 177.9736 143 A 3.9473 7.9134 123.4465 55.4645 18.3692 179.7470 144 E 3.9519 7.9933 116.1536 59.2479 29.5078 179.1568 145 H 4.2072 7.8860 116.5112 58.7521 29.0198 177.9445 146 V 3.2541 7.5409 120.7978 64.4456 31.0169 178.6005 147 K 3.8602 7.6255 119.0055 59.1588 31.3827 178.9091 148 E 3.8837 8.0065 119.2827 58.7939 29.4781 178.7199 149 A 3.8447 8.0221 121.6219 55.0398 18.3387 179.6497 150 F 4.3706 7.7875 115.9509 60.5956 38.7627 177.9297 151 R 2.8688 7.7711 117.4608 58.6913 30.0049 178.2259 152 R 3.9510 7.2362 116.6678 58.1544 30.3699 178.5396 153 A 3.9017 7.6630 122.0179 55.2754 18.4300 178.6458 154 Y 4.4589 7.7123 111.3449 58.5548 38.1689 176.0806 155 N 4.8420 7.7127 117.0687 54.1679 39.0333 175.6196 156 K 4.6471 8.0030 117.2964 55.6621 32.7834 175.6110 157 I 4.7751 7.4664 110.9627 59.0268 40.7173 175.2691 158 T 3.9658 8.8090 118.7511 66.3709 68.3023 173.3554 159 P 4.5197 0.0000 0.0000 62.4014 32.5250 175.4160 160 S 4.5420 8.1424 114.1414 58.1722 64.6951 173.0687 161 C 5.1815 7.8984 118.1687 58.3852 32.8044 173.2414 162 R 4.5479 8.8267 118.3353 54.7855 32.8947 175.8249 163 I 4.6019 8.5231 124.8645 60.1848 37.0668 173.2705 164 D 4.7373 8.7491 126.5125 52.9677 42.8225 174.5572 165 S 4.8345 8.6963 120.9155 58.0863 63.6797 171.3818 166 S 4.5037 9.6534 123.4205 58.1967 63.4365 175.1173 167 P 4.2688 0.0000 0.0000 65.0534 32.4121 175.3614 168 A 5.5076 7.9902 135.0000 52.6189 19.7756 176.4297 169 G 4.2004 8.1387 115.5562 46.1536 0.0000 172.6933 170 N 4.7584 8.0182 116.2439 51.2054 37.7233 175.3577 171 A 4.3226 7.6788 123.7853 52.1064 19.3600 176.4784 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 K 8.31 4.34 0.00 1.91 1.90 0.00 1.93 0.00 0.00 1.82 0.00 0.00 3.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.54 7.81 2 P 0.00 4.27 0.00 2.26 1.97 0.00 3.61 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 3 A 8.41 4.35 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 4 S 8.06 4.37 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 5 M 7.59 4.00 0.00 1.21 1.78 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.39 0.00 6 Y 7.41 4.82 0.00 3.06 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 7 R 8.58 4.41 0.00 1.96 2.28 0.00 3.04 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 1.72 1.57 0.00 8 D 7.38 4.96 0.00 2.78 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 9 I 8.01 4.43 1.88 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 1.50 0.59 0.93 0.00 0.00 10 D 7.88 4.85 0.00 2.72 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 11 K 7.86 4.24 0.00 1.78 1.75 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.44 7.81 12 P 0.00 4.41 0.00 2.10 2.04 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 13 A 8.43 4.31 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 9.97 4.93 0.00 2.92 2.89 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 15 T 7.95 4.27 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 1.29 0.00 0.00 16 R 7.93 4.10 0.00 2.13 2.21 0.00 3.32 0.00 0.00 3.40 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.80 0.00 17 R 8.27 3.99 0.00 1.79 1.90 0.00 3.08 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 18 E 7.77 4.06 0.00 1.45 1.75 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 1.47 1.47 0.00 19 Y 7.65 4.82 0.00 3.04 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 20 I 7.24 4.60 1.73 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.54 0.88 0.00 0.00 21 T 8.05 4.64 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 1.22 0.00 0.00 22 G 8.71 3.80 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 0.00 0.00 0.00 23 I 7.78 4.02 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.57 0.88 0.00 0.00 24 P 0.00 4.35 0.00 1.99 1.99 0.00 3.64 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 25 G 8.25 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 26 S 8.28 4.38 0.00 3.87 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 27 K 8.69 4.23 0.00 1.72 1.81 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.46 7.81 28 I 7.55 3.90 1.85 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.45 0.69 0.00 0.00 29 A 10.58 4.18 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 30 Q 7.55 4.71 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 31 H 8.87 4.58 0.00 3.18 3.42 0.00 5.77 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 32 K 8.14 5.06 0.00 1.68 1.79 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.55 7.81 33 M 8.98 4.73 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 34 G 8.81 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.49 4.32 0.00 1.85 1.88 0.00 3.14 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 36 K 8.06 4.23 0.00 1.88 1.96 0.00 1.59 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.47 7.81 37 Q 7.92 4.07 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 38 K 7.66 4.37 0.00 1.77 1.96 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.45 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.53 1.41 7.81 39 D 8.47 4.89 0.00 3.05 2.51 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 0.00 40 A 8.23 3.58 0.27 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 41 D 7.93 4.55 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 42 D 7.89 4.68 0.00 2.51 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 7.48 4.80 0.00 3.12 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 44 P 0.00 4.44 0.00 2.11 2.15 0.00 3.98 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 45 V 7.90 5.31 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.98 0.00 0.00 46 Q 8.78 4.94 0.00 2.32 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.63 0.00 0.00 0.00 0.00 0.00 2.20 2.10 0.00 47 I 8.41 5.10 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.50 1.07 0.00 0.00 48 S 9.28 5.24 0.00 3.73 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 49 L 8.64 4.67 0.00 0.53 1.22 0.97 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.52 4.85 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.53 0.98 0.00 0.00 51 V 8.50 3.98 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 0.94 0.00 0.00 0.90 0.00 0.00 52 E 8.85 3.96 0.00 1.99 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 2.27 2.31 0.00 53 E 7.90 4.69 0.00 1.88 1.79 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 2.18 2.26 0.00 54 T 8.41 4.40 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 1.27 0.00 0.00 55 V 8.68 4.58 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.97 0.00 0.00 56 Q 8.70 5.09 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 57 L 8.71 4.83 0.00 1.54 1.56 0.88 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.62 4.48 0.00 1.87 1.84 0.00 2.87 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 59 H 9.05 4.27 0.00 3.35 3.53 0.00 5.27 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.74 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 0.00 0.00 0.00 61 S 8.38 4.12 0.00 3.86 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.85 3.97 0.00 1.79 1.62 0.78 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.27 3.88 0.00 2.07 1.99 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 2.36 2.36 0.00 64 A 8.13 4.06 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.33 4.18 0.00 4.28 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 0.00 66 R 8.70 3.79 0.00 2.27 2.07 0.00 3.28 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 1.79 1.98 0.00 67 L 8.36 3.93 0.00 2.08 1.64 0.99 0.87 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 68 S 7.76 4.11 0.00 3.95 4.07 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 69 A 7.52 4.12 1.24 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 0.00 0.00 70 N 8.13 4.13 0.00 2.82 2.85 0.00 0.00 6.96 7.26 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 71 R 8.33 3.93 0.00 2.07 1.90 0.00 3.13 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 72 H 8.09 4.13 0.00 3.22 3.38 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.55 3.65 0.00 1.51 0.80 0.23 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 74 I 8.22 4.00 2.04 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 1.52 0.86 0.93 0.00 0.00 75 K 7.76 3.90 0.00 1.81 1.91 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.44 7.81 76 E 7.83 4.22 0.00 1.63 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.20 0.00 77 L 8.88 4.65 0.00 1.67 1.77 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 78 G 7.99 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.60 4.25 0.00 1.98 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 0.00 2.33 2.36 0.00 80 E 7.82 4.61 0.00 1.89 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 81 G 8.01 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.38 4.67 0.00 2.69 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 83 Y 7.34 4.92 0.00 3.13 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 84 K 8.65 5.06 0.00 1.96 1.88 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.99 1.34 7.81 85 M 9.13 5.37 0.00 2.26 2.01 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.74 0.00 86 T 9.69 5.12 4.42 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 0.00 0.00 0.00 1.38 0.00 0.00 87 L 8.92 4.76 0.00 1.60 1.58 0.25 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.41 4.27 0.00 1.91 2.11 0.00 3.14 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.71 0.00 89 K 7.73 4.61 0.00 1.61 1.73 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.32 7.81 90 F 8.50 4.76 0.00 2.76 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 91 P 0.00 5.35 0.00 2.16 2.08 0.00 3.46 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 92 H 8.02 4.36 0.00 3.21 3.39 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 8.03 4.18 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.09 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 94 V 8.64 4.37 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 0.92 0.00 0.00 0.90 0.00 0.00 95 L 8.93 4.90 0.00 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7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 115 A 8.64 3.77 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 0.00 116 A 7.80 4.31 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 0.00 117 F 8.40 3.82 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 0.00 118 G 7.98 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 0.00 119 K 8.69 4.82 0.00 1.88 1.98 0.00 1.35 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.43 7.81 120 I 8.37 4.41 1.93 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.57 0.99 0.00 0.00 121 V 8.71 4.33 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 0.83 0.00 0.00 0.91 0.00 0.00 122 G 7.31 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.64 5.32 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 1.14 0.00 0.00 124 A 9.11 5.02 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 0.00 125 A 9.04 4.99 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 0.00 126 R 8.62 4.70 0.00 1.74 1.92 0.00 3.20 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 127 V 8.78 4.40 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 0.95 0.00 0.00 0.89 0.00 0.00 128 Q 9.36 4.65 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 129 A 8.64 4.28 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 0.00 130 G 9.48 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 0.00 131 E 7.98 4.34 0.00 2.07 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 0.00 2.33 2.37 0.00 132 Q 8.39 4.76 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.04 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 133 L 9.16 4.03 0.00 1.62 1.54 0.63 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 134 F 7.85 5.41 0.00 2.46 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 0.00 135 T 9.07 5.13 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 0.70 0.00 0.00 136 A 9.38 5.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 Y 8.64 5.15 0.00 2.32 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 0.00 138 C 9.05 5.16 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.96 5.09 0.00 2.76 2.83 0.00 0.00 6.45 7.68 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 0.00 140 V 8.43 3.61 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 1.07 0.00 0.00 141 E 8.18 4.13 0.00 2.03 2.01 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 2.33 2.35 0.00 142 D 8.71 4.73 0.00 2.68 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 0.00 143 A 7.91 3.95 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 0.00 144 E 7.99 3.95 0.00 1.84 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 2.34 2.28 0.00 145 H 7.89 4.21 0.00 3.21 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 V 7.54 3.25 1.75 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 0.67 0.00 0.00 0.20 0.00 0.00 147 K 7.63 3.86 0.00 1.95 1.85 0.00 1.94 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.60 7.81 148 E 8.01 3.88 0.00 2.12 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 0.00 2.20 2.08 0.00 149 A 8.02 3.84 1.20 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 0.00 150 F 7.79 4.37 0.00 3.12 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 0.00 151 R 7.77 2.87 0.00 1.81 2.01 0.00 3.22 0.00 0.00 3.32 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.67 0.00 152 R 7.24 3.95 0.00 1.91 1.80 0.00 3.02 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.65 0.00 153 A 7.66 3.90 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 0.00 0.00 0.00 0.00 0.00 154 Y 7.71 4.46 0.00 2.92 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 0.00 155 N 7.71 4.84 0.00 2.88 2.91 0.00 0.00 6.75 8.32 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 0.00 156 K 8.00 4.65 0.00 1.86 1.79 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.47 7.81 157 I 7.47 4.78 1.91 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 1.67 0.73 0.98 0.00 0.00 158 T 8.81 3.97 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 1.22 0.00 0.00 159 P 0.00 4.52 0.00 2.15 2.06 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 160 S 8.14 4.54 0.00 3.83 3.65 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 0.00 161 C 7.90 5.18 0.00 2.74 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 0.00 162 R 8.83 4.55 0.00 1.71 1.79 0.00 3.10 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 163 I 8.52 4.60 2.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.79 1.11 0.00 0.00 164 D 8.75 4.74 0.00 2.79 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 S 8.70 4.83 0.00 3.94 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 0.00 166 S 9.65 4.50 0.00 3.95 3.34 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 0.00 167 P 0.00 4.27 0.00 2.17 2.09 0.00 3.85 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.17 0.00 168 A 7.99 5.51 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 0.00 169 G 8.14 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 0.00 170 N 8.02 4.76 0.00 2.72 2.79 0.00 0.00 6.89 7.35 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 0.00 171 A 7.68 4.32 1.20 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 * Residues marked with a * may have inaccurate shift predictions.