NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3023 8.0333 117.4007 62.9265 69.5665 172.7205 3 L 3.6583 8.5424 127.2819 53.8485 41.5239 175.0455 4 H 4.0315 8.9635 126.3385 56.8379 30.6427 176.2477 5 K 3.9119 8.6048 129.5784 57.4817 31.4581 173.9236 6 E 4.4353 7.8703 114.7480 57.3130 30.5598 176.2264 7 R 4.9287 8.2237 116.1038 55.0995 29.6564 177.3260 8 R 4.3565 7.6452 118.0651 55.7586 29.9468 176.0323 9 I 3.2025 8.2984 124.4660 64.3577 38.0311 176.8066 10 G 3.5552 7.9809 105.8533 47.3287 0.0000 175.0053 11 R 3.8735 7.8901 120.5820 58.8700 29.9749 178.4921 12 L 3.8387 7.7639 118.4238 57.9014 41.7096 179.4538 13 S 3.9819 7.6400 113.5519 61.7755 62.5871 176.8628 14 V 3.6629 7.7263 121.1773 65.7082 31.1028 178.0658 15 L 3.9799 7.7979 117.8586 57.4687 41.7022 178.9507 16 L 4.0282 8.1295 120.6073 58.0879 41.8628 178.5226 17 L 3.9471 7.4803 118.6652 58.0553 42.0068 178.1086 18 L 4.4566 7.5725 115.2062 53.4952 41.8522 175.8360 19 N 4.7486 7.4377 118.3799 51.7158 39.1720 175.4379 20 E 4.0201 8.7648 121.5795 58.3408 30.1553 177.1981 21 A 4.0265 7.7388 124.3560 52.8188 19.2249 177.7871 *23 E 4.0886 8.3382 117.2729 55.4912 30.2816 176.8173 24 S 4.4442 7.4800 114.0698 57.6852 64.1365 175.1126 25 T 4.2980 8.2707 126.9131 62.9139 68.9514 176.9006 26 Q 3.9061 8.5898 128.7250 59.3556 28.5539 174.5256 27 V 3.9235 7.9060 120.2214 66.7344 31.4213 178.4587 28 E 4.0381 7.8784 120.4702 61.6799 29.5648 182.9578 29 E 4.2078 8.1719 119.0251 61.1788 29.6196 180.8826 30 L 4.3662 7.6988 118.7670 57.9678 41.7391 179.3342 31 E 4.9063 8.0581 120.9775 59.0766 29.6170 179.4584 32 R 4.0927 8.2413 120.4722 60.6409 30.0153 179.5326 33 D 4.8234 8.2209 119.9176 53.1967 41.6700 177.5756 34 G 3.7990 8.6098 111.7137 46.6187 0.0000 172.9123 35 W 4.8383 9.0829 121.8222 56.0651 30.7491 175.5400 36 K 4.7748 8.9786 124.3706 55.4085 32.9271 175.8477 37 V 4.9614 8.5116 124.8404 61.2360 34.5666 174.2179 38 C 4.8855 8.8662 125.8767 57.7963 34.9184 172.5526 39 L 5.1724 8.4391 125.0461 53.3841 44.8692 175.6392 40 G 3.2795 7.5991 107.3592 45.8138 0.0000 171.8378 41 K 5.1571 8.0357 118.0737 55.0859 36.3311 176.5580 42 V 4.5342 8.9711 123.9526 60.1839 35.0480 173.8668 43 G 4.4751 8.2585 111.3240 44.5254 0.0000 171.9384 44 S 4.7300 8.7931 117.7577 58.1399 66.8210 176.3071 45 M 4.2916 8.2247 119.7431 54.7888 31.6861 174.7783 46 D 4.8827 8.1916 120.4132 52.2922 43.1640 176.3326 47 A 3.9612 8.8141 127.2477 55.5091 18.5654 178.6328 48 H 4.2526 8.1815 112.3333 58.1132 28.4078 177.4080 49 K 4.0521 7.7639 121.7780 58.8892 32.0532 179.2634 50 V 3.4795 7.4431 118.0957 65.9410 31.5036 177.7896 51 I 3.5045 7.7126 119.2322 64.3598 37.0076 177.9269 52 A 3.9735 7.8386 120.7779 55.4047 18.2197 179.4154 53 A 3.9713 8.3284 119.2335 55.4568 18.4192 180.0057 54 I 2.9507 7.5428 118.1533 64.2329 37.1364 178.2514 55 E 3.9225 8.3109 120.4466 59.6240 29.3398 179.0977 56 T 3.9049 8.1375 115.5524 66.4798 68.5494 176.6962 57 A 4.0650 8.0295 122.6792 55.4169 18.3259 179.9123 58 S 4.1753 8.3320 113.6973 61.6290 62.6387 177.0532 59 K 4.2502 7.9039 120.3875 59.1477 31.9698 178.9071 60 K 4.0816 8.2098 119.8257 58.7612 32.4141 177.6987 61 S 4.3922 7.9048 113.0619 58.2116 63.7515 173.9662 62 G 3.9873 8.4188 107.0202 45.4436 0.0000 174.6183 63 V 3.7767 8.0246 121.4126 65.2880 31.4267 176.0141 64 I 4.9169 7.3390 109.7284 58.6395 40.6136 174.7783 65 Q 4.1950 9.1736 121.7478 55.9580 29.0217 177.2861 66 S 4.2609 8.8413 119.1228 60.7944 63.7302 174.7932 67 E 4.5966 8.1279 115.6887 54.8890 31.7456 180.1996 68 G 4.2002 8.7183 105.3290 46.6207 0.0000 173.7277 69 Y 4.5091 8.8365 120.5318 61.0090 39.1332 178.2430 70 R 3.5421 7.5753 118.8948 59.4097 30.8585 177.7482 71 E 4.0114 8.1175 118.0085 59.1136 29.5215 179.4938 72 S 4.1314 7.8170 115.1189 61.7421 63.1283 175.7907 73 H 3.8111 8.3134 121.0250 58.9646 29.5009 177.0922 74 A 3.8679 7.8095 122.4933 55.2439 18.3414 179.5031 75 L 3.9573 7.9955 118.6664 58.0312 42.0480 178.6446 76 Y 3.8356 8.1525 119.8984 61.0923 38.7544 177.6326 77 H 4.1141 8.2060 116.6394 58.6007 28.7205 177.7363 78 A 4.0009 7.8807 122.3863 55.3405 18.0874 179.8873 79 T 3.7308 7.7448 114.2345 66.7980 68.5566 176.7546 80 M 3.8250 7.7517 120.6361 58.6805 31.4138 178.8426 81 E 4.1030 8.4715 118.2055 59.0712 29.6661 179.2399 82 A 4.1531 7.7753 120.6803 54.8769 18.6577 179.4548 83 L 3.9633 8.2773 117.9257 58.0053 41.5357 179.2142 84 H 4.2033 8.1644 116.1601 59.0259 28.4260 177.9751 85 G 3.7265 7.4491 103.0990 47.4549 0.0000 175.8566 86 V 4.2825 7.8317 120.9849 65.4778 31.9689 177.5769 87 T 4.1163 8.7006 108.7243 61.4773 70.0920 174.3135 88 R 3.7840 8.9186 120.5557 56.1404 28.0633 173.9348 89 G 3.7404 7.5688 111.9592 45.4479 0.0000 172.8972 90 E 4.4652 7.7650 124.1035 53.9651 31.6418 177.0641 91 M 4.5190 8.2703 127.1468 54.2196 30.4682 175.4977 92 L 4.8579 7.2724 118.6441 52.8965 46.7039 174.7651 93 L 4.4395 8.1456 118.6191 55.1071 44.7393 178.8004 94 G 3.7153 7.7651 111.9803 49.2639 0.0000 175.4290 95 S 4.4187 8.0255 111.1250 59.3453 62.9888 173.9935 96 L 4.7178 7.6185 121.0836 54.8458 42.8278 175.9148 97 L 3.6572 7.9544 117.1172 55.6463 40.9950 173.5803 98 R 4.9524 7.5233 110.7774 55.0982 33.2042 174.3859 99 T 4.7846 9.0930 113.9717 60.7396 71.6502 172.6950 100 V 4.8554 8.6412 117.1942 59.5021 36.2611 175.4200 101 G 4.1734 8.8367 110.4573 44.6071 0.0000 171.6783 102 L 5.2511 8.6696 126.8164 52.5907 45.1319 175.6292 103 R 5.0660 8.9080 121.5191 54.6561 33.5645 174.3621 104 F 5.5277 8.7010 118.8573 55.3511 41.7870 173.0000 105 A 5.4249 9.1612 122.4744 50.2463 22.6865 175.1278 106 V 4.9077 8.7685 120.1181 61.0453 34.9536 174.0735 107 L 5.3324 9.0833 129.3559 53.2580 45.6364 174.8714 108 R 5.2466 9.7022 125.4398 53.8533 33.5171 174.8594 109 G 3.9243 8.3193 112.0797 46.6205 0.0000 170.2758 110 N 5.5299 8.0856 119.4337 51.5086 39.4864 172.9229 111 P 4.9729 0.0000 0.0000 62.4901 31.9371 175.1868 112 Y 4.9928 8.9993 120.3169 56.9629 40.3291 176.7177 113 E 4.0837 8.6503 116.9993 59.0940 30.0243 177.5716 114 S 4.2371 8.1552 117.9978 58.5963 62.7245 174.9683 115 E 4.2645 8.8022 122.7268 57.2171 30.1715 174.2653 116 A 4.3204 7.8612 121.7343 55.4466 18.9710 179.6179 117 E 4.0386 7.8043 115.4061 57.7568 30.0572 178.9272 118 G 3.8957 7.4831 105.1370 45.0935 0.0000 172.1475 119 D 5.0995 8.3770 118.5252 53.7379 42.7293 175.8413 120 W 5.3608 9.4858 121.3643 54.9975 34.0014 173.9925 121 I 5.3782 9.5700 120.5722 59.4350 41.3959 173.6478 122 A 5.2522 9.2473 129.8257 50.1397 22.2856 174.8352 123 V 4.7119 8.9776 122.8187 61.1696 34.1905 174.5770 124 S 5.1906 9.2728 123.7843 56.6881 66.5225 173.0193 125 L 5.2642 9.0323 124.2934 53.2639 45.3167 174.9685 126 Y 4.9495 7.8993 122.0138 55.6146 42.6954 174.5290 127 G 4.3632 6.6511 112.4550 46.4228 0.0000 171.5113 128 T 5.0057 7.4713 112.2998 59.7795 72.1214 172.8570 129 I 4.9470 8.1358 120.9184 58.9067 41.4118 174.8196 130 G 4.0221 7.9694 113.1464 45.7271 0.0000 172.0085 131 A 4.3822 7.4884 121.8358 51.3156 18.8060 177.2497 132 P 4.3435 0.0000 0.0000 65.0956 31.6883 177.1810 133 I 4.0456 7.8414 121.4731 61.7005 37.5512 177.8560 134 K 4.4315 8.0833 127.2403 57.5418 32.3681 174.3430 135 G 3.8246 7.8265 107.7547 46.6961 0.0000 174.2988 136 L 4.3088 7.4860 121.9136 52.8369 40.0804 175.3192 137 E 4.8896 7.7160 119.4490 55.7910 32.0958 174.3845 138 H 5.0643 8.3413 114.2697 53.7859 32.5994 172.5701 139 E 4.7271 8.7901 117.9132 57.2043 30.2535 176.4741 140 T 4.8591 8.4468 114.3800 61.1971 71.2318 172.1916 141 F 5.1745 8.6846 127.8784 57.0965 43.1517 173.6060 142 G 4.5453 8.1584 107.3893 46.3730 0.0000 172.6275 143 V 4.9635 8.5456 122.8319 61.0656 34.7824 174.2563 144 G 4.7978 9.4779 114.9483 43.5102 0.0000 171.5622 145 I 5.3480 8.4418 124.5631 59.7047 40.3583 174.3254 146 N 5.2700 9.3412 123.3553 52.6141 42.8806 172.8276 147 H 3.6796 8.3433 119.0720 54.5186 29.8946 174.9259 148 I 3.9924 7.8394 120.7475 61.1582 37.7625 174.7890 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 T 8.03 4.30 4.30 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 1.23 0.00 0.00 3 L 8.54 3.66 0.00 1.60 1.46 0.81 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 4 H 8.96 4.03 0.00 3.24 3.24 0.00 5.82 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.60 3.91 0.00 1.81 1.76 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.07 7.81 6 E 7.87 4.44 0.00 1.98 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 0.00 2.27 2.25 0.00 7 R 8.22 4.93 0.00 2.49 2.35 0.00 2.90 0.00 0.00 3.31 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.84 0.00 8 R 7.65 4.36 0.00 1.81 1.85 0.00 3.09 0.00 0.00 3.20 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 9 I 8.30 3.20 2.02 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.99 0.93 0.00 0.00 10 G 7.98 3.56 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 0.00 0.00 0.00 11 R 7.89 3.87 0.00 1.83 2.05 0.00 3.14 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 12 L 7.76 3.84 0.00 1.34 1.38 0.50 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 13 S 7.64 3.98 0.00 4.02 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 14 V 7.73 3.66 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 1.29 0.00 0.00 1.12 0.00 0.00 15 L 7.80 3.98 0.00 1.79 1.67 0.87 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 16 L 8.13 4.03 0.00 1.76 1.81 0.89 0.70 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 17 L 7.48 3.95 0.00 1.90 1.92 0.96 0.83 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 18 L 7.57 4.46 0.00 1.59 1.52 0.82 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 19 N 7.44 4.75 0.00 2.87 2.73 0.00 0.00 6.92 7.73 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 20 E 8.76 4.02 0.00 2.05 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 0.00 2.27 2.36 0.00 21 A 7.74 4.03 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 *23 E 8.34 4.09 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 2.13 1.88 0.00 24 S 7.48 4.44 0.00 3.57 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 25 T 8.27 4.30 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 26 Q 8.59 3.91 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.89 0.00 0.00 0.00 0.00 0.00 2.34 1.97 0.00 27 V 7.91 3.92 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 0.98 0.00 0.00 0.92 0.00 0.00 28 E 7.88 4.04 0.00 1.84 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 2.24 2.20 0.00 29 E 8.17 4.21 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.98 0.00 30 L 7.70 4.37 0.00 1.83 1.87 0.82 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.06 4.91 0.00 2.16 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 0.00 2.60 2.50 0.00 32 R 8.24 4.09 0.00 1.87 1.86 0.00 3.26 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 33 D 8.22 4.82 0.00 3.15 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 34 G 8.61 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 35 W 9.08 4.84 0.00 3.34 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 36 K 8.98 4.77 0.00 1.90 1.83 0.00 1.53 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.48 7.81 37 V 8.51 4.96 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.00 0.00 0.00 38 C 8.87 4.89 0.00 3.10 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 39 L 8.44 5.17 0.00 1.43 1.35 0.88 0.85 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 40 G 7.60 3.28 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 0.00 41 K 8.04 5.16 0.00 1.54 1.63 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.22 1.30 7.81 42 V 8.97 4.53 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.96 0.00 0.00 43 G 8.26 4.48 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 44 S 8.79 4.73 0.00 3.82 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 45 M 8.22 4.29 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 46 D 8.19 4.88 0.00 2.53 2.31 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 47 A 8.81 3.96 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 48 H 8.18 4.25 0.00 3.44 3.62 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.76 4.05 0.00 1.93 1.84 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.40 1.23 7.81 50 V 7.44 3.48 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 0.95 0.00 0.00 0.88 0.00 0.00 51 I 7.71 3.50 1.87 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 1.30 0.66 0.90 0.00 0.00 52 A 7.84 3.97 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 0.00 0.00 0.00 0.00 0.00 53 A 8.33 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.54 2.95 1.68 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.13 0.65 0.00 0.00 55 E 8.31 3.92 0.00 2.03 2.08 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 2.33 2.38 0.00 56 T 8.14 3.90 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 1.24 0.00 0.00 57 A 8.03 4.06 1.62 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 0.00 0.00 58 S 8.33 4.18 0.00 4.06 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 59 K 7.90 4.25 0.00 1.78 1.89 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.16 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.65 7.81 60 K 8.21 4.08 0.00 1.86 1.97 0.00 1.83 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.47 7.81 61 S 7.90 4.39 0.00 4.08 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 62 G 8.42 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 63 V 8.02 3.78 2.26 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 0.92 0.00 0.00 1.00 0.00 0.00 64 I 7.34 4.92 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 1.32 0.86 0.93 0.00 0.00 65 Q 9.17 4.20 0.00 2.03 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.06 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 66 S 8.84 4.26 0.00 3.99 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 67 E 8.13 4.60 0.00 1.99 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 2.14 1.85 0.00 68 G 8.72 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 69 Y 8.84 4.51 0.00 2.94 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 70 R 7.58 3.54 0.00 1.90 1.85 0.00 3.19 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 71 E 8.12 4.01 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 72 S 7.82 4.13 0.00 4.10 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 73 H 8.31 3.81 0.00 1.78 3.02 0.00 5.59 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 74 A 7.81 3.87 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 75 L 8.00 3.96 0.00 1.78 1.68 0.91 0.65 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 76 Y 8.15 3.84 0.00 3.16 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 77 H 8.21 4.11 0.00 3.22 3.33 0.00 5.67 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 78 A 7.88 4.00 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 79 T 7.74 3.73 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 80 M 7.75 3.83 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 1.97 0.00 81 E 8.47 4.10 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 2.36 2.55 0.00 82 A 7.78 4.15 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.28 3.96 0.00 1.77 1.65 0.80 0.93 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 84 H 8.16 4.20 0.00 3.47 3.37 0.00 5.81 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 85 G 7.45 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 86 V 7.83 4.28 2.19 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 0.77 0.00 0.00 0.92 0.00 0.00 87 T 8.70 4.12 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 88 R 8.92 3.78 0.00 1.90 1.98 0.00 3.19 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 89 G 7.57 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 0.00 0.00 0.00 90 E 7.76 4.47 0.00 1.92 1.87 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 2.20 2.19 0.00 91 M 8.27 4.52 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 92 L 7.27 4.86 0.00 1.60 1.48 0.92 1.00 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 93 L 8.15 4.44 0.00 1.76 1.53 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 94 G 7.77 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.03 4.42 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.62 4.72 0.00 1.71 1.64 0.92 0.84 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 97 L 7.95 3.66 0.00 1.69 1.65 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 98 R 7.52 4.95 0.00 1.87 1.80 0.00 3.01 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 99 T 9.09 4.78 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 0.00 100 V 8.64 4.86 2.08 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 0.65 0.00 0.00 0.92 0.00 0.00 101 G 8.84 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 0.00 102 L 8.67 5.25 0.00 1.66 1.59 0.89 0.42 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 0.00 103 R 8.91 5.07 0.00 1.83 1.85 0.00 3.13 0.00 0.00 3.44 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 104 F 8.70 5.53 0.00 3.12 3.05 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 0.00 105 A 9.16 5.42 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 0.00 106 V 8.77 4.91 2.18 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 0.99 0.00 0.00 1.04 0.00 0.00 107 L 9.08 5.33 0.00 1.68 1.39 0.92 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 108 R 9.70 5.25 0.00 2.04 1.85 0.00 3.49 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 109 G 8.32 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 0.00 110 N 8.09 5.53 0.00 2.87 2.70 0.00 0.00 6.89 7.69 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 0.00 111 P 0.00 4.97 0.00 1.91 2.38 0.00 4.07 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.73 0.00 112 Y 9.00 4.99 0.00 2.95 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 0.00 113 E 8.65 4.08 0.00 1.97 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 2.26 2.12 0.00 114 S 8.16 4.24 0.00 3.87 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 0.00 115 E 8.80 4.26 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 1.87 0.00 116 A 7.86 4.32 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 0.00 117 E 7.80 4.04 0.00 2.06 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 0.00 2.25 1.61 0.00 118 G 7.48 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 D 8.38 5.10 0.00 2.71 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 0.00 120 W 9.49 5.36 0.00 3.53 3.29 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 0.00 121 I 9.57 5.38 1.95 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 1.23 1.96 1.00 0.00 0.00 122 A 9.25 5.25 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 0.00 123 V 8.98 4.71 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 0.74 0.00 0.00 0.90 0.00 0.00 124 S 9.27 5.19 0.00 3.72 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 0.00 125 L 9.03 5.26 0.00 1.39 1.44 0.90 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 7.90 4.95 0.00 2.60 2.65 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 0.00 127 G 6.65 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 0.00 0.00 0.00 0.00 128 T 7.47 5.01 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 1.12 0.00 0.00 129 I 8.14 4.95 1.82 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 1.41 0.85 0.00 0.00 130 G 7.97 4.02 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 0.00 0.00 0.00 131 A 7.49 4.38 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 0.00 132 P 0.00 4.34 0.00 2.04 2.14 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 133 I 7.84 4.05 1.86 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 1.15 0.71 0.91 0.00 0.00 134 K 8.08 4.43 0.00 1.79 1.66 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.07 7.81 135 G 7.83 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 7.49 4.31 0.00 1.67 1.63 0.92 0.68 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 0.00 137 E 7.72 4.89 0.00 2.06 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 2.09 2.18 0.00 138 H 8.34 5.06 0.00 3.21 3.43 0.00 5.46 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.79 4.73 0.00 2.00 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 0.00 2.44 2.39 0.00 140 T 8.45 4.86 4.28 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 1.13 0.00 0.00 141 F 8.68 5.17 0.00 3.16 2.93 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 0.00 0.00 0.00 142 G 8.16 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 0.00 143 V 8.55 4.96 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 0.85 0.00 0.00 1.07 0.00 0.00 144 G 9.48 4.80 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 0.00 145 I 8.44 5.35 1.99 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 1.32 0.79 1.18 0.00 0.00 146 N 9.34 5.27 0.00 2.85 2.61 0.00 0.00 6.80 7.71 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 0.00 147 H 8.34 3.68 0.00 1.89 1.31 0.00 5.52 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 0.00 148 I 7.84 3.99 1.80 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 1.03 0.87 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.