NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.6172 8.2649 122.4686 52.0061 19.9763 175.7733 2 D 4.6931 9.0720 123.8204 52.9730 42.6160 174.3422 3 I 5.1469 9.1900 124.6494 59.6873 41.2026 174.7580 4 Q 4.7681 8.7920 123.5352 54.4775 32.7891 174.2639 5 S 5.1270 8.6257 117.3069 57.6896 66.3099 172.7613 6 F 4.7056 8.5319 114.5548 56.5425 41.4036 172.9394 7 S 4.9283 7.9564 113.8009 57.2081 65.3216 172.9686 8 F 4.9525 9.6407 128.4622 56.4168 41.4733 176.7264 9 K 4.3459 9.1661 125.4872 55.0897 34.1815 173.9974 10 N 5.0314 7.8714 112.5651 50.4251 39.8666 178.3638 11 F 4.0319 8.7561 125.9500 57.4347 39.6553 177.3571 *14 S 4.3099 8.4203 119.2362 58.1861 64.0085 173.9739 15 S 4.6051 7.8279 115.1789 58.7985 63.4491 173.4593 16 F 5.4765 8.0012 117.8169 55.7217 42.5989 174.3411 17 I 4.5290 9.4024 123.4159 59.8295 39.0297 174.6160 18 L 5.2567 8.6430 126.9470 53.2545 43.9062 176.0230 19 Q 4.4287 8.7539 121.0707 54.7648 33.0723 176.0745 20 G 3.7808 8.8334 109.6880 46.7880 0.0000 174.9249 21 D 4.7292 9.0629 122.9704 55.0739 41.2027 176.8963 22 A 3.9833 7.1799 120.2141 53.1242 18.7730 177.0457 23 T 4.6381 8.6877 115.4634 60.8171 71.5582 172.4258 24 V 4.8781 8.0105 125.6796 59.9258 34.0343 175.1039 25 S 4.4643 8.8388 116.3441 58.7397 65.8231 175.1450 26 S 3.8094 9.1614 120.3568 59.9166 59.6485 170.8213 27 S 4.5631 8.4897 112.7557 57.4232 59.6454 175.3083 28 K 4.7077 7.4945 118.2360 55.8231 36.5485 175.2777 29 L 3.8603 7.5683 128.5551 55.5061 43.1471 176.4073 30 R 4.8433 9.1325 129.0101 55.1066 30.7166 173.1029 31 L 4.0833 8.8787 127.7682 56.0603 42.7068 177.4928 32 T 4.9276 7.5861 106.9384 58.9657 71.6594 174.4182 33 K 4.0721 8.4194 123.7076 56.7093 32.8018 176.5305 34 V 4.5202 7.8493 122.7376 60.9927 34.5635 175.2365 35 K 4.3240 8.9833 127.2987 55.6918 32.9646 178.2486 36 G 3.6256 8.6269 108.6242 48.9045 0.0000 175.0049 37 N 4.2898 8.0128 116.1130 54.1995 37.3620 175.8443 38 G 3.8669 8.2914 109.5777 45.8220 0.0000 173.8715 39 L 4.5310 7.9087 119.7423 51.8696 42.4908 180.6539 40 P 4.5785 0.0000 0.0000 63.6513 31.4178 175.5738 41 T 4.5892 8.1208 116.4865 63.6209 72.4158 174.3996 42 L 4.2220 8.4330 125.9081 54.9984 42.1742 174.2661 43 S 3.7856 9.1384 115.1118 60.4467 60.8258 171.9151 44 S 5.0233 8.1052 114.5888 56.8611 66.2241 173.2558 45 L 4.8206 8.8709 123.6367 54.2660 46.0211 173.9201 46 G 4.8697 8.8281 112.6109 44.5091 0.0000 171.6240 47 R 5.2026 9.0081 120.9325 54.0463 34.7760 174.2719 48 A 5.0559 8.3405 123.1229 50.3829 22.6202 175.1552 49 F 5.5898 9.4905 120.5402 55.4791 43.6469 173.8734 50 Y 4.7126 9.1538 124.1868 58.1064 38.4859 175.7509 51 S 4.1173 8.8624 123.9037 61.4387 64.0443 174.6452 52 S 4.4171 6.0797 113.1210 55.8766 63.0448 171.6408 53 P 4.6925 0.0000 0.0000 62.7691 32.1734 175.5161 54 I 4.6633 8.3589 115.0186 59.1732 40.8937 174.0290 55 Q 4.1760 8.4753 125.6571 55.1552 29.1809 175.5530 56 I 3.9615 8.4300 129.0138 64.1698 37.5129 175.2681 57 Y 4.9528 6.6047 115.1649 56.2213 40.4799 172.7276 58 D 5.0131 8.9876 119.1127 52.1522 43.0157 176.1269 59 K 3.9985 9.8895 127.8313 59.7476 31.6302 178.3624 60 S 4.2369 7.4662 112.4798 60.7468 63.4219 175.2843 61 T 3.8527 7.8071 114.5213 62.0827 68.6466 175.6520 62 G 3.9463 8.5753 109.1339 44.8686 0.0000 173.4875 63 A 4.2793 7.8835 122.2154 52.0394 19.6960 176.7176 64 V 4.8617 8.2235 119.5498 60.9041 34.3322 175.1559 65 A 4.7759 8.9481 129.7207 51.6404 19.4080 176.6869 66 S 5.1137 8.7491 116.6673 56.8694 65.7633 173.3094 67 W 5.5435 8.0866 119.0628 55.7214 32.3152 173.0050 68 A 5.0840 8.9584 120.3028 51.3794 22.4971 175.2587 69 T 5.2991 9.2022 114.1484 60.9046 71.4524 172.8244 70 S 5.2804 9.1455 121.4905 56.9998 67.2294 172.5407 71 F 5.2880 7.9437 112.8704 56.9925 41.4628 172.5918 72 T 5.2530 8.4414 116.2963 62.0780 71.3103 173.4531 73 A 5.0945 9.3117 128.6152 51.0935 23.1449 175.2335 74 N 5.4976 8.8175 119.4728 51.1404 41.5987 173.1632 75 I 4.8423 8.4142 124.8364 58.4087 41.0277 174.8020 *76 F 5.2998 9.3328 127.7853 55.3058 41.3461 170.6770 77 A 4.8646 9.3757 125.6113 48.4090 20.9928 174.2605 78 P 4.1435 0.0000 0.0000 64.9949 32.3608 176.3654 79 N 4.1074 8.5538 119.3072 51.7829 33.7111 173.7330 80 K 3.8049 8.2362 125.5366 59.4359 32.5188 178.3390 81 S 4.4791 8.0157 109.1300 59.6347 63.0588 174.0289 82 S 5.0623 8.5755 119.0156 58.3297 63.5976 173.8279 83 S 4.6394 7.7306 113.8268 57.7832 63.9889 173.2928 84 A 4.4167 7.8843 122.3211 52.2967 22.3604 176.5916 85 D 4.6548 9.1320 119.7387 53.6002 42.3641 175.8708 86 G 4.4035 7.4815 104.1258 44.4397 0.0000 171.8613 87 I 4.9658 8.4669 118.3076 59.4148 42.0793 174.3229 88 A 5.5463 9.2588 127.7959 50.4827 23.1382 174.5996 89 F 5.0710 9.6181 123.1030 56.9069 41.5272 174.6987 90 A 4.9620 7.9277 126.3469 50.2735 23.6888 174.7549 91 L 4.8714 8.5667 118.5361 53.1726 44.6404 176.4925 92 V 4.7435 8.2370 116.6436 58.3057 36.3558 173.6377 93 P 4.1824 0.0000 0.0000 63.1452 31.7940 177.7904 94 V 3.0970 7.8743 114.2879 65.7815 32.2331 177.5644 95 G 3.5360 8.1052 112.1173 48.0122 0.0000 173.0604 96 S 3.6466 7.2973 113.6077 57.1567 61.8608 173.2520 97 E 4.5078 8.3311 127.6253 54.1661 30.9475 174.1904 98 P 4.3706 0.0000 0.0000 63.6158 32.1102 176.4627 99 K 4.8060 7.7841 120.9004 55.3791 34.8006 176.4812 100 S 4.3536 8.1846 117.9207 59.0980 64.0862 174.7553 101 N 4.7594 8.2783 119.4040 52.5657 37.1314 175.8033 *104 F 4.6368 7.7104 115.8245 57.0073 41.3323 176.1794 105 L 3.9221 8.6257 117.9204 54.1710 39.4657 174.6929 106 G 4.0255 8.6029 104.1427 46.4622 0.0000 176.3539 107 V 4.1679 7.8035 111.4111 60.0088 33.7308 175.4890 108 F 5.1481 7.8749 116.0999 55.8061 42.6312 173.9253 109 D 4.2909 8.8554 119.7751 53.8968 43.0337 176.3841 110 S 4.5819 7.3098 111.7830 57.1196 65.9175 173.4258 111 D 4.5333 8.6102 117.9675 52.9683 39.2850 175.8551 112 V 4.2765 7.6599 120.0470 60.9862 33.0852 174.8735 113 Y 4.0407 8.6604 127.9334 58.3123 39.0342 175.4653 114 D 4.5813 8.0885 125.9384 52.0000 42.4067 174.5656 115 N 4.3194 8.8923 125.7985 56.2139 39.1095 177.0192 116 S 4.1864 8.1897 111.1376 60.6716 63.3090 175.2980 117 A 3.9800 8.2908 124.4475 53.6563 18.4882 177.4808 118 Q 3.9888 7.7220 112.5322 56.1991 27.1386 174.1641 119 T 4.9414 8.6974 112.7499 61.9063 73.4468 174.7330 120 V 5.1549 8.5760 124.1651 61.3368 35.2002 174.0418 121 A 5.2104 9.4343 127.7550 50.8028 23.5045 174.9080 122 V 4.8570 9.1845 120.2560 61.2784 33.6329 174.6819 123 E 4.9983 8.8077 126.5180 55.0647 32.1740 175.2189 124 F 5.2437 8.7910 118.8267 55.5136 39.6783 172.6032 125 D 4.7180 8.7174 121.2957 54.6312 41.8767 176.4806 126 T 4.5315 8.8472 117.7082 62.0513 70.9070 174.8918 *127 F 4.6451 7.7389 121.5812 55.3567 40.7784 180.9354 128 S 4.1822 8.6287 119.3149 56.1824 61.3320 173.2252 129 N 4.0502 8.5423 126.5827 52.2697 37.7763 175.0578 130 T 3.7573 7.9107 120.3212 61.1173 68.6670 174.0812 *132 W 4.9425 7.6744 118.1736 57.0834 30.6028 176.4658 133 D 4.6779 7.7018 117.6506 53.0695 40.8794 174.3552 134 P 4.5676 0.0000 0.0000 61.9473 32.3802 177.4819 135 T 3.9688 8.5062 116.9811 66.2218 68.3415 173.8573 136 S 4.8091 7.1966 113.2926 55.4629 66.1877 173.4186 137 R 4.3132 8.2926 118.6946 57.4589 30.5769 175.9130 138 H 5.7305 9.0727 117.0808 54.5863 33.2937 171.7174 139 I 4.4581 8.8393 119.0979 59.4374 39.5859 175.5681 140 G 4.5501 8.6363 112.9587 43.2741 0.0000 171.4434 141 I 4.8330 8.3214 120.8901 59.6583 39.5297 174.5243 142 D 5.0174 9.4091 128.5950 52.6442 42.8206 176.0313 143 V 4.2946 8.1405 123.5691 60.9373 33.4959 174.3957 144 N 4.1270 8.7998 127.8613 53.6211 36.6753 174.4161 145 S 4.2885 5.8100 107.4698 57.5996 64.7771 176.2191 146 I 3.5425 7.6565 125.6082 61.9515 37.7171 175.9652 147 K 4.2080 7.4191 119.9280 55.4882 31.3429 176.8387 148 S 4.5614 8.7108 120.2418 58.2603 63.3108 175.3252 149 I 4.3151 8.5359 118.2664 61.3886 38.4154 176.5170 150 R 4.6545 7.1541 118.5000 56.6706 33.2306 178.6939 151 T 5.8950 8.8954 111.9400 58.6538 72.8547 172.7130 152 A 4.8040 8.2883 121.6660 50.2899 22.7270 175.8856 153 S 4.6675 8.9840 118.3375 58.6872 63.7837 173.7323 154 W 4.1280 8.9865 134.1230 55.2536 32.9675 175.3492 155 G 3.7124 7.8626 116.8686 44.3714 0.0000 172.4118 156 L 3.5912 7.5890 128.5371 54.0980 42.3437 177.0135 157 A 4.3454 8.1827 130.0531 49.6454 18.2736 174.4197 158 N 4.1675 8.2549 118.7469 55.7751 39.4862 175.1136 159 G 4.1774 9.2231 115.5448 45.7758 0.0000 173.9974 160 Q 4.3776 7.4826 116.7345 55.4696 29.5995 176.2052 161 N 4.9965 8.7060 117.9810 53.1385 40.1027 174.5737 162 A 4.7137 9.1553 123.0168 50.3073 22.4247 174.8906 163 E 4.7611 9.1425 123.6620 54.9773 31.3084 175.4481 164 I 5.3204 7.9176 118.2965 58.2331 41.1739 174.7498 165 L 4.8990 8.0556 124.5474 53.9955 45.2432 174.3846 166 I 5.1226 8.9441 128.0432 59.8165 40.1035 174.9666 167 T 4.7317 8.9740 115.8076 60.0842 72.6851 172.1977 168 Y 4.6311 7.8168 124.7453 55.7008 41.5722 173.9109 169 N 4.4851 8.1399 127.1556 52.0518 39.1947 175.6824 170 A 3.6740 8.0609 130.6837 54.8835 18.8733 178.5277 171 A 4.0755 8.0946 118.9103 54.9280 18.4237 178.4644 172 T 4.2116 7.5627 102.7696 60.9370 70.0718 175.0189 173 S 3.7533 7.7860 117.2814 58.5106 61.3016 170.2698 174 L 4.9011 7.1790 123.0154 53.7352 43.6516 174.7718 175 L 5.2969 9.0441 128.7731 53.4214 44.3746 175.0911 176 V 5.0053 8.9302 125.5908 61.1414 35.0644 173.9792 177 A 5.5483 9.1222 127.3459 49.4162 23.2196 175.2860 178 S 5.5914 8.5439 116.4052 58.3339 66.5260 173.7336 179 L 5.0058 8.7303 126.3950 53.4197 43.7862 172.1961 180 V 4.8769 8.2911 120.1245 62.0574 35.5291 173.2872 181 H 5.1871 8.9568 125.3575 53.8010 29.6248 174.0186 182 P 4.3085 0.0000 0.0000 65.4217 31.6841 179.1288 183 S 4.1735 8.3176 113.3305 61.3071 62.7289 175.4928 184 R 4.5693 7.9020 115.1759 54.9804 30.6229 175.5307 185 R 3.7575 7.6993 115.4592 57.3030 28.6716 176.0802 186 T 4.7426 7.7061 106.5414 60.4814 71.4090 173.9019 187 S 5.0690 7.7469 116.4580 57.4202 66.4136 172.6170 188 Y 5.0837 8.7505 117.9089 56.8485 42.5513 173.9598 189 I 5.7660 8.2849 114.2776 59.0054 41.5424 174.3703 190 V 4.6897 8.1532 121.5966 61.6559 34.8665 173.3253 191 S 5.3079 8.3110 120.8798 56.7510 66.5263 172.7761 192 E 4.8518 8.2324 117.2635 55.5602 33.5757 175.8702 193 R 4.6416 8.8940 125.9918 56.6781 31.2504 176.5549 194 V 4.2561 8.9683 122.6040 62.0277 34.6798 174.8824 195 D 4.7000 8.8814 129.2926 52.5313 39.7750 175.6002 196 I 3.6947 8.2039 124.0438 64.1335 37.8559 176.7119 197 T 3.2968 7.9127 108.8737 63.9346 68.6539 175.3414 198 N 4.6542 8.0764 117.9895 54.5971 39.5931 176.4041 199 E 4.4181 8.1343 118.8360 56.6867 29.9060 175.5536 200 L 5.1362 7.2523 116.5236 52.2510 46.0522 173.9280 201 P 4.6738 0.0000 0.0000 61.8081 32.2743 176.6130 202 E 2.5757 8.6412 120.1183 58.2541 29.6913 176.0203 203 Y 4.9944 7.6892 114.8833 56.2085 41.0203 175.5039 204 V 4.6297 8.6570 115.9917 59.8146 36.7747 174.0715 205 S 5.0591 8.9628 117.2525 56.8638 65.6367 173.8907 206 I 4.4158 8.5258 117.5210 59.0377 40.3129 176.0966 207 G 3.5219 6.3697 108.7958 45.9636 0.0000 171.2970 208 F 5.1775 7.0526 117.7015 55.8738 43.3845 174.5310 209 S 4.9769 8.5837 113.5779 57.3097 66.1366 172.8463 210 A 5.1771 8.9555 127.8455 50.7060 23.1635 174.7876 211 T 5.1717 8.3874 109.6731 60.2272 73.0974 172.2506 212 T 5.2744 8.3362 110.8897 59.5156 72.4594 173.5242 213 G 3.9228 8.7762 109.7324 46.5654 0.0000 174.3505 214 L 4.5528 8.5358 118.2611 56.3389 43.0047 178.6764 215 S 4.2397 8.0541 111.3082 60.9285 63.7607 173.6852 *218 Y 5.2684 7.7182 117.7939 57.6768 37.6565 173.3065 219 T 5.1242 7.8692 112.5663 61.8085 72.5146 171.8548 220 E 4.8585 8.4150 118.8038 56.2312 32.3885 173.9880 221 T 4.6175 8.6806 110.2969 60.8515 71.6327 174.0754 222 H 4.7874 8.4661 119.1013 54.2372 32.0561 171.4184 223 D 5.1110 8.5018 123.1745 52.1635 44.2260 175.3152 224 V 3.9507 8.4651 124.3555 62.0597 32.4263 176.2515 225 L 4.6413 9.1455 127.6852 56.3428 43.2865 176.9827 226 S 5.1553 8.1022 111.0139 57.0817 66.7654 173.2428 227 W 6.3000 9.4925 131.0249 56.6791 34.4692 173.7221 228 S 5.2497 10.1260 122.6881 57.0314 66.7827 172.7822 229 F 5.0135 8.3662 123.8659 57.0256 43.2263 172.8826 230 A 4.9164 6.6280 124.2196 50.7917 23.0806 175.4907 231 S 5.1354 9.1465 116.5251 56.4303 67.1134 173.3999 232 K 4.7092 9.0957 122.5155 54.9975 35.0073 174.2241 233 L 4.8340 8.9808 131.3589 52.9868 43.9309 174.6893 234 P 4.7933 0.0000 0.0000 62.1121 33.8457 175.9148 235 D 4.5575 8.4556 118.4101 54.6562 41.1056 176.5520 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 A 8.26 4.62 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.07 4.69 0.00 2.64 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 3 I 9.19 5.15 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 1.35 0.64 0.92 0.00 0.00 4 Q 8.79 4.77 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.62 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 5 S 8.63 5.13 0.00 3.80 3.71 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 6 F 8.53 4.71 0.00 2.43 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 S 7.96 4.93 0.00 3.78 3.62 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 8 F 9.64 4.95 0.00 2.78 2.48 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 9 K 9.17 4.35 0.00 1.74 1.67 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.25 0.96 7.81 10 N 7.87 5.03 0.00 2.67 2.60 0.00 0.00 6.71 7.43 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 11 F 8.76 4.03 0.00 2.96 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 *14 S 8.42 4.31 0.00 3.65 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 15 S 7.83 4.61 0.00 3.10 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.00 5.48 0.00 2.94 3.09 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 0.00 0.00 0.00 0.00 17 I 9.40 4.53 2.06 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 1.25 0.82 0.98 0.00 0.00 18 L 8.64 5.26 0.00 1.53 1.57 0.96 0.93 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 19 Q 8.75 4.43 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.65 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 20 G 8.83 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 21 D 9.06 4.73 0.00 2.53 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 22 A 7.18 3.98 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.69 4.64 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 1.26 0.00 0.00 24 V 8.01 4.88 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 0.79 0.00 0.00 0.89 0.00 0.00 25 S 8.84 4.46 0.00 3.99 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 9.16 3.81 0.00 4.05 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 27 S 8.49 4.56 0.00 3.78 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 28 K 7.49 4.71 0.00 1.79 1.88 0.00 1.20 0.00 0.00 1.52 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.24 7.81 29 L 7.57 3.86 0.00 0.27 0.68 0.30 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 30 R 9.13 4.84 0.00 1.47 1.81 0.00 3.32 0.00 0.00 3.17 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.45 0.00 31 L 8.88 4.08 0.00 1.57 1.62 0.68 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.59 4.93 4.27 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 1.20 0.00 0.00 33 K 8.42 4.07 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 42 L 8.43 4.22 0.00 1.67 1.45 0.92 0.87 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 43 S 9.14 3.79 0.00 3.95 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.11 5.02 0.00 3.85 3.69 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 45 L 8.87 4.82 0.00 1.75 1.45 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.83 4.87 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 47 R 9.01 5.20 0.00 1.91 1.62 0.00 3.15 0.00 0.00 3.38 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 48 A 8.34 5.06 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 9.49 5.59 0.00 2.96 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 *127 F 7.74 4.65 0.00 2.13 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 0.00 0.00 0.00 0.00 128 S 8.63 4.18 0.00 3.78 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 N 8.54 4.05 0.00 1.44 1.42 0.00 0.00 6.51 6.96 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 0.00 130 T 7.91 3.76 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 1.09 0.00 0.00 *132 W 7.67 4.94 0.00 3.38 3.46 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 0.00 133 D 7.70 4.68 0.00 2.52 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.57 0.00 2.12 1.93 0.00 3.20 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 1.91 2.03 0.00 135 T 8.51 3.97 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 1.19 0.00 0.00 136 S 7.20 4.81 0.00 3.97 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 R 8.29 4.31 0.00 1.69 1.73 0.00 2.82 0.00 0.00 2.73 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.49 0.00 138 H 9.07 5.73 0.00 3.32 3.44 0.00 5.21 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 I 8.84 4.46 1.79 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.73 0.43 0.00 0.00 140 G 8.64 4.55 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 0.00 0.00 0.00 141 I 8.32 4.83 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.66 0.99 0.00 0.00 142 D 9.41 5.02 0.00 2.84 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 V 8.14 4.29 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 0.93 0.00 0.00 1.00 0.00 0.00 144 N 8.80 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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 0.00 153 S 8.98 4.67 0.00 3.90 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 W 8.99 4.13 0.00 2.94 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 0.00 155 G 7.86 3.71 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 0.00 0.00 0.00 156 L 7.59 3.59 0.00 0.27 0.98 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 157 A 8.18 4.35 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 N 8.25 4.17 0.00 2.75 2.71 0.00 0.00 7.10 7.95 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 0.00 159 G 9.22 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 Q 7.48 4.38 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 186 T 7.71 4.74 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 1.36 0.00 0.00 187 S 7.75 5.07 0.00 3.74 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 Y 8.75 5.08 0.00 3.00 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 0.00 189 I 8.28 5.77 1.90 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 1.22 0.95 0.95 0.00 0.00 190 V 8.15 4.69 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 1.00 0.00 0.00 0.93 0.00 0.00 191 S 8.31 5.31 0.00 3.86 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 0.00 192 E 8.23 4.85 0.00 2.10 1.83 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 2.11 2.23 0.00 193 R 8.89 4.64 0.00 1.77 1.89 0.00 3.26 0.00 0.00 3.16 7.21 0.00 0.00 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0.00 2.00 2.07 0.00 202 E 8.64 2.58 0.00 1.89 1.74 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 2.09 2.09 0.00 203 Y 7.69 4.99 0.00 2.71 2.72 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 0.00 204 V 8.66 4.63 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 0.72 0.00 0.00 0.78 0.00 0.00 205 S 8.96 5.06 0.00 3.28 3.42 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 0.00 206 I 8.53 4.42 1.97 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 1.32 1.04 0.64 0.00 0.00 207 G 6.37 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 F 7.05 5.18 0.00 2.61 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 0.00 209 S 8.58 4.98 0.00 3.78 3.58 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 0.00 210 A 8.96 5.18 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 T 8.39 5.17 4.29 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 1.22 0.00 0.00 212 T 8.34 5.27 4.31 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 1.34 0.00 0.00 213 G 8.78 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 0.00 214 L 8.54 4.55 0.00 1.68 1.75 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 215 S 8.05 4.24 0.00 4.09 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 *218 Y 7.72 5.27 0.00 3.24 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 0.00 219 T 7.87 5.12 4.27 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 1.30 0.00 0.00 220 E 8.42 4.86 0.00 2.07 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 0.00 2.46 1.99 0.00 221 T 8.68 4.62 4.35 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 1.18 0.00 0.00 222 H 8.47 4.79 0.00 3.01 3.16 0.00 5.55 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 D 8.50 5.11 0.00 2.43 2.39 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 0.00 224 V 8.47 3.95 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 0.00 0.00 0.35 0.00 0.00 -0.19 0.00 0.00 225 L 9.15 4.64 0.00 1.75 1.80 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 226 S 8.10 5.16 0.00 4.14 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 W 9.49 6.30 0.00 3.97 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 S 10.13 5.25 0.00 3.87 3.69 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 0.00 229 F 8.37 5.01 0.00 2.27 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 0.00 230 A 6.63 4.92 0.99 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 0.00 231 S 9.15 5.14 0.00 4.11 4.27 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 0.00 232 K 9.10 4.71 0.00 1.82 1.70 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.37 7.81 233 L 8.98 4.83 0.00 1.84 1.54 1.06 0.79 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 0.00 234 P 0.00 4.79 0.00 2.14 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 2.01 2.03 0.00 235 D 8.46 4.56 0.00 2.66 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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.