NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.3838 8.4345 117.0973 57.3796 63.9976 176.2641 *0 H 4.4586 7.7349 117.2425 52.6450 30.0832 171.7692 2 E 4.7238 9.1099 125.3305 53.7441 34.5684 174.0415 3 L 3.5978 8.2720 121.2069 58.4937 41.5666 179.0798 4 Y 4.2918 7.4107 115.3398 61.8096 37.9624 178.5376 5 E 4.2622 8.3418 118.1777 60.1095 29.6626 179.1459 6 C 4.0559 7.9524 115.7883 63.0676 28.3105 176.2873 7 I 3.8326 8.0077 121.3353 64.6026 36.7433 178.2107 8 Q 3.6457 8.5165 119.4111 59.2081 28.3992 178.8896 9 D 4.3571 8.5168 118.8122 57.8139 40.9546 178.9314 10 I 3.6948 7.9992 119.0942 64.2611 37.4985 178.1879 11 F 4.4862 8.9132 118.6614 59.2165 38.7273 178.1431 12 G 4.0511 8.3688 108.3989 48.7290 0.0000 175.2084 13 G 3.7118 8.0038 106.8020 46.6030 0.0000 173.7985 14 L 3.9803 7.8482 121.0931 54.8634 41.8154 176.4120 15 K 4.5031 8.3757 124.4107 55.4330 34.5867 175.6451 16 N 4.1658 8.8706 126.2562 53.8296 36.3586 172.0139 17 P 4.6562 0.0000 0.0000 62.5826 33.0294 176.3309 18 S 4.8100 8.5853 114.0182 56.3461 66.7067 175.2251 19 V 3.7071 8.4943 117.0553 65.4348 31.1003 179.7099 20 K 4.0574 7.9785 122.6960 59.8625 31.7128 181.3008 21 D 4.6101 7.7800 119.9828 57.1822 40.6828 179.0555 22 L 4.1603 8.2554 119.3895 57.6084 41.4493 179.2711 23 A 3.9724 7.8693 119.8851 55.5150 18.5244 179.4747 24 T 3.9239 7.7631 106.9371 65.3542 68.8951 175.7204 25 S 3.9671 8.0031 115.7827 61.0877 62.0197 175.6777 26 L 4.6840 8.1185 118.9274 56.6032 40.1565 177.4320 27 K 4.4836 7.9192 116.8039 56.8189 32.3773 176.7478 28 Q 4.4137 7.6465 116.9831 55.6648 30.2922 175.6606 29 I 3.6799 7.6728 119.0048 60.6110 37.1212 173.9658 30 P 4.1496 0.0000 0.0000 63.5696 32.1427 176.4840 31 N 4.0411 9.0025 123.2327 53.8265 37.5259 174.3289 32 A 3.9807 7.9016 122.7690 55.4289 18.6689 178.8391 33 A 3.9528 8.0105 117.4811 55.3756 18.3286 179.3877 34 K 4.0454 7.8779 116.6710 59.8171 32.1783 179.0515 35 L 4.1069 7.6754 117.5809 57.6801 41.5979 178.9660 36 S 4.5920 8.1421 113.0311 58.1736 62.6988 173.3161 37 Q 4.8048 7.4657 120.6416 53.6679 31.9210 174.6784 38 P 4.6015 0.0000 0.0000 61.7070 29.9196 174.8561 39 Y 4.3569 8.0068 116.2908 58.4245 38.9391 176.1257 40 I 4.1828 7.5691 121.9741 60.3283 38.1822 175.2721 41 K 4.6300 8.4301 123.6967 54.4732 35.1641 174.8858 42 E 4.5859 8.1988 118.6692 54.3937 30.7145 174.1723 43 P 4.5122 0.0000 0.0000 62.7150 31.4214 174.7735 44 D 4.4512 8.7562 124.2977 54.6534 41.6183 177.5222 45 Q 4.0499 5.7400 121.6813 58.2224 30.1697 174.2177 46 Y 4.5871 7.0766 114.7437 55.8543 40.5871 174.7957 47 A 4.3526 8.5855 121.8958 54.0848 19.5131 176.9927 48 Y 5.0249 7.2238 113.5189 54.6283 41.8777 175.4259 49 G 4.0507 9.1014 109.1352 46.0645 0.0000 172.5158 50 R 5.1259 8.3655 123.9300 54.4643 33.2889 173.8162 51 N 4.9344 9.1014 124.6431 51.9194 42.1663 173.1091 52 A 4.7838 8.8109 129.1707 52.0355 18.7691 176.7169 53 I 4.5938 8.6906 114.2089 60.8653 39.8175 175.1574 54 Y 4.8197 7.6614 123.3216 56.6076 42.2574 173.5160 55 R 4.4965 7.2839 124.2252 55.2192 33.6011 173.6136 56 N 5.0102 7.8961 123.7919 51.9332 38.9531 173.7941 57 N 4.4746 8.7249 112.8536 54.5337 38.0392 175.3405 58 E 4.1971 7.7274 120.5704 56.9796 30.8601 176.1091 59 L 5.4202 7.3060 116.9739 54.1255 44.6995 173.5238 60 E 5.0012 8.8594 117.8272 55.1482 33.6042 174.1096 61 I 5.0413 8.9419 127.0437 59.4348 40.5834 174.5524 62 I 5.0225 8.9170 119.9567 59.0749 41.5945 174.3959 63 V 4.6640 8.8326 124.4488 61.7641 33.0423 174.3913 64 I 5.0381 9.1788 129.7922 59.6592 39.8501 174.4028 65 N 5.0282 9.5597 125.6122 52.0316 41.1356 173.0015 66 I 4.7980 8.2853 127.9568 58.7449 38.3125 174.3730 67 P 4.4526 0.0000 0.0000 61.4276 31.8063 173.9117 68 P 4.4851 0.0000 0.0000 64.7906 31.1382 175.6622 69 N 4.3000 9.0658 118.2630 54.0305 36.7346 174.0221 70 K 4.5734 7.5163 118.3581 55.1332 34.4658 174.5633 71 E 4.8247 8.1569 116.6057 56.3522 31.6947 174.3552 72 T 4.5118 8.0022 109.8200 60.5799 71.1429 173.7565 73 T 4.4780 7.4443 111.9216 60.8922 71.1068 174.3213 74 V 4.0927 8.0692 121.9150 62.5340 32.9526 174.3096 75 H 6.1092 8.7872 121.8211 56.1129 32.2714 172.0549 76 D 5.7596 8.3864 118.3501 50.7776 42.1491 176.2264 77 H 4.9196 8.1879 114.7701 55.1320 29.9905 177.6309 78 G 4.0742 8.6061 114.6368 46.8312 0.0000 173.9937 79 Q 4.5711 9.3433 117.3977 55.2597 30.1933 174.4494 80 S 5.0589 8.3054 114.8097 56.8846 66.1409 172.6812 81 I 4.6588 7.9015 114.2076 59.6657 40.7763 174.6616 82 G 4.7099 8.5414 104.4783 45.7320 0.0000 172.5347 83 C 4.9673 8.5836 125.5018 58.4698 34.4611 172.4896 84 A 5.4316 8.4661 123.5259 50.6828 22.6509 174.7547 *86 V 4.3180 8.1721 113.7394 62.2915 32.3476 176.3369 87 L 4.4742 9.1651 123.7465 55.7285 43.3289 176.8068 88 E 4.8385 7.5667 116.5891 57.5780 32.6611 172.7288 89 G 3.9879 9.2235 112.8660 44.0683 0.0000 172.6183 90 K 4.5890 8.3715 121.8097 55.5719 35.2189 175.8068 91 L 5.0064 8.5735 127.6425 53.9274 44.1600 174.7673 92 L 4.5586 8.4275 121.6401 53.2543 43.8612 175.0397 93 N 4.7791 8.8659 126.5261 52.2615 40.2718 173.4867 94 S 4.8439 8.4614 123.3631 57.2203 65.1729 173.5368 95 I 5.0638 8.4192 124.8358 59.8314 39.9833 174.2913 96 Y 5.5161 8.8527 124.7292 56.2252 41.9883 176.7272 97 R 4.4790 8.5744 123.1680 56.6216 31.9641 175.3110 98 S 4.9030 8.4913 124.5328 57.3873 66.6255 172.0657 99 T 4.7776 8.6305 106.5796 61.2097 71.5692 174.4211 100 G 4.2371 7.7622 111.7121 47.1092 0.0000 176.7238 101 E 4.1895 8.8947 118.9293 57.4576 30.0527 174.1951 102 H 5.4202 7.9920 110.7554 53.7573 31.7084 171.8515 103 A 4.8148 8.3904 121.1439 50.5363 22.4532 175.0733 104 E 5.0793 8.3983 118.4119 54.9629 33.4354 174.6261 105 L 4.5178 8.3322 122.1367 54.1290 42.3160 176.5764 106 S 4.3802 8.7810 119.8990 59.3424 63.2498 172.7720 107 N 4.4053 7.3498 116.2582 53.7750 42.3389 172.7181 108 S 4.7139 8.5331 111.9096 57.5949 65.3494 173.9724 109 Y 4.7849 7.5952 124.2131 56.2508 41.8072 173.1375 110 F 5.4772 8.9217 118.3244 55.8833 41.3962 176.0583 111 V 4.5634 8.6670 121.4069 60.6325 34.2312 175.1697 112 H 4.9895 9.1508 122.9280 53.5537 31.2516 174.2108 113 E 4.1417 8.8092 117.7021 58.4246 29.5814 179.5251 114 G 4.0322 8.6491 109.1322 46.0732 0.0000 173.7092 115 E 4.5500 8.0290 118.8578 55.3087 30.9861 175.2341 116 C 5.1977 8.3823 118.2293 57.9572 31.4680 173.2308 117 L 4.9409 9.0195 122.6427 54.1953 42.7793 175.2960 118 I 4.6490 8.4041 121.9972 60.2076 39.5470 175.9596 119 S 4.5900 8.4573 120.8860 56.4690 64.8199 173.8217 120 T 4.4553 8.2381 121.7206 62.5858 70.2142 173.2278 121 K 4.0740 8.5160 124.1784 58.0328 32.3182 176.6394 122 G 3.9114 8.9430 113.7038 45.8347 0.0000 172.4180 123 L 4.2810 7.7529 122.3911 54.4739 43.4950 175.5867 124 I 4.9174 8.0095 126.4463 60.1921 39.7923 174.2418 125 H 5.0589 8.2561 120.1420 55.5994 32.3633 171.5151 126 K 4.5198 8.7614 119.9334 55.4189 35.6720 174.7198 *128 S 4.5027 8.6249 111.4420 58.5988 65.0874 172.8537 129 N 5.3394 8.9042 121.5260 51.2477 38.5920 173.1682 130 P 4.3403 0.0000 0.0000 65.1260 32.0613 178.0344 131 T 4.0486 7.8009 107.9258 61.6064 69.0676 173.9798 132 S 4.4625 8.5150 116.1871 58.6034 63.6147 173.3652 133 E 4.7586 7.4484 122.2152 54.0858 32.0114 178.1484 134 R 4.2734 8.1217 120.6025 55.7030 29.8778 175.4679 *136 V 4.2068 8.1946 115.5415 63.3809 33.1869 175.7408 137 S 4.9614 9.7126 123.7455 56.6375 67.4555 172.9824 138 L 4.7235 8.4105 125.0101 54.1425 43.3918 174.4001 139 H 4.9829 9.0722 124.5803 53.9517 31.7337 174.3220 140 V 4.5913 8.1854 121.5440 61.2144 34.4840 173.6636 141 Y 5.4174 9.1809 125.7578 56.2935 41.3856 174.6974 142 S 5.0300 8.8070 117.9448 56.0545 65.6483 171.9388 143 P 5.8203 0.0000 0.0000 60.6177 32.5229 174.0417 144 P 4.4958 0.0000 0.0000 63.0704 31.6850 176.6971 145 L 4.0277 8.7443 124.2365 55.6169 40.5736 175.1274 146 E 4.1243 8.0218 121.6961 55.8214 30.3455 176.2237 147 D 4.8372 7.5855 115.7598 52.2272 45.2272 174.8750 *149 T 4.1897 8.0590 108.9042 61.8107 70.1515 172.9462 150 V 4.7648 8.2399 126.7493 61.6564 32.4384 175.1793 151 F 4.8223 8.9543 127.0437 55.9183 41.3145 176.0425 152 E 4.2699 8.1071 118.0125 56.5676 29.5452 175.8817 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 S 8.43 4.38 0.00 3.65 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 H 7.73 4.46 0.00 2.95 2.85 0.00 7.21 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 E 9.11 4.72 0.00 1.90 1.70 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 2.15 2.23 0.00 3 L 8.27 3.60 0.00 1.26 1.21 0.64 0.73 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 4 Y 7.41 4.29 0.00 2.95 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 5 E 8.34 4.26 0.00 2.16 2.02 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 2.43 2.48 0.00 6 C 7.95 4.06 0.00 3.12 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 7 I 8.01 3.83 1.90 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 1.61 0.67 0.43 0.00 0.00 8 Q 8.52 3.65 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.16 2.29 0.00 9 D 8.52 4.36 0.00 2.73 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 10 I 8.00 3.69 1.54 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.50 0.15 0.00 0.00 11 F 8.91 4.49 0.00 3.09 3.17 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 12 G 8.37 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 13 G 8.00 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 14 L 7.85 3.98 0.00 1.91 1.74 1.07 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.38 4.50 0.00 1.69 1.68 0.00 1.96 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.38 7.81 16 N 8.87 4.17 0.00 2.92 2.84 0.00 0.00 7.10 8.04 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 17 P 0.00 4.66 0.00 2.24 2.13 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 18 S 8.59 4.81 0.00 4.08 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 19 V 8.49 3.71 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 0.82 0.00 0.00 0.95 0.00 0.00 20 K 7.98 4.06 0.00 1.76 1.81 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.10 7.81 21 D 7.78 4.61 0.00 2.96 2.78 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 22 L 8.26 4.16 0.00 1.91 1.79 1.00 0.92 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 23 A 7.87 3.97 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 24 T 7.76 3.92 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 1.30 0.00 0.00 25 S 8.00 3.97 0.00 4.17 3.93 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 26 L 8.12 4.68 0.00 2.12 2.23 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.92 4.48 0.00 1.93 1.84 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.38 1.70 7.81 28 Q 7.65 4.41 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.99 0.00 0.00 0.00 0.00 0.00 2.20 2.59 0.00 29 I 7.67 3.68 1.90 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.51 0.93 0.00 0.00 30 P 0.00 4.15 0.00 2.03 1.99 0.00 3.81 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 2.00 2.16 0.00 31 N 9.00 4.04 0.00 2.88 2.74 0.00 0.00 7.05 8.47 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 32 A 7.90 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.01 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 34 K 7.88 4.05 0.00 1.99 1.82 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 35 L 7.68 4.11 0.00 1.82 1.72 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.14 4.59 0.00 4.14 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 37 Q 7.47 4.80 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.29 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 38 P 0.00 4.60 0.00 2.03 1.98 0.00 3.31 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.79 0.00 39 Y 8.01 4.36 0.00 3.15 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 40 I 7.57 4.18 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.82 0.95 0.00 0.00 41 K 8.43 4.63 0.00 1.81 1.72 0.00 1.68 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.45 7.81 42 E 8.20 4.59 0.00 2.00 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 2.36 2.27 0.00 43 P 0.00 4.51 0.00 2.07 2.14 0.00 3.72 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.19 0.00 44 D 8.76 4.45 0.00 2.66 2.38 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 45 Q 5.74 4.05 0.00 2.09 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.40 0.00 0.00 0.00 0.00 0.00 2.18 2.02 0.00 46 Y 7.08 4.59 0.00 2.73 2.34 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 47 A 8.59 4.35 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 48 Y 7.22 5.02 0.00 3.15 3.03 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 49 G 9.10 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 50 R 8.37 5.13 0.00 1.35 1.45 0.00 2.49 0.00 0.00 2.38 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.51 0.00 51 N 9.10 4.93 0.00 2.85 2.82 0.00 0.00 6.68 8.12 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 52 A 8.81 4.78 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 53 I 8.69 4.59 1.92 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.81 1.10 0.00 0.00 54 Y 7.66 4.82 0.00 2.95 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 55 R 7.28 4.50 0.00 1.60 1.53 0.00 3.14 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.61 0.00 56 N 7.90 5.01 0.00 2.79 2.54 0.00 0.00 7.01 7.32 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 57 N 8.72 4.47 0.00 2.84 2.96 0.00 0.00 5.76 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.73 4.20 0.00 2.09 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 2.66 2.39 0.00 59 L 7.31 5.42 0.00 1.86 1.82 1.06 0.54 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 60 E 8.86 5.00 0.00 2.03 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 2.24 2.27 0.00 61 I 8.94 5.04 1.86 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.39 0.81 0.00 0.00 62 I 8.92 5.02 1.90 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 1.08 1.31 0.98 0.00 0.00 63 V 8.83 4.66 2.28 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 1.03 0.00 0.00 1.02 0.00 0.00 64 I 9.18 5.04 2.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.91 0.96 0.00 0.00 65 N 9.56 5.03 0.00 2.79 2.86 0.00 0.00 6.83 7.31 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 66 I 8.29 4.80 1.88 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.65 0.94 0.00 0.00 67 P 0.00 4.45 0.00 2.26 2.24 0.00 3.87 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.04 0.00 68 P 0.00 4.49 0.00 2.22 2.19 0.00 3.94 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 2.02 2.03 0.00 69 N 9.07 4.30 0.00 2.88 2.97 0.00 0.00 6.93 7.19 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 70 K 7.52 4.57 0.00 1.99 1.80 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.54 7.81 71 E 8.16 4.82 0.00 2.02 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 2.19 2.30 0.00 72 T 8.00 4.51 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 73 T 7.44 4.48 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 1.30 0.00 0.00 74 V 8.07 4.09 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 0.07 0.00 0.00 0.48 0.00 0.00 75 H 8.79 6.11 0.00 3.34 3.41 0.00 5.55 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.39 5.76 0.00 2.84 2.79 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 77 H 8.19 4.92 0.00 3.40 3.14 0.00 5.78 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 78 G 8.61 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 0.00 0.00 0.00 79 Q 9.34 4.57 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 80 S 8.31 5.06 0.00 3.78 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 81 I 7.90 4.66 2.05 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 1.42 0.97 0.99 0.00 0.00 82 G 8.54 4.71 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 83 C 8.58 4.97 0.00 3.05 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 84 A 8.47 5.43 1.04 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 0.00 0.00 *86 V 8.17 4.32 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 1.30 0.00 0.00 1.01 0.00 0.00 87 L 9.17 4.47 0.00 1.62 1.77 0.95 1.11 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 88 E 7.57 4.84 0.00 1.89 1.81 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 2.20 2.25 0.00 89 G 9.22 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 90 K 8.37 4.59 0.00 1.68 1.61 0.00 1.14 0.00 0.00 1.49 0.00 0.00 2.78 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.28 1.04 7.81 91 L 8.57 5.01 0.00 1.86 1.78 1.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.43 4.56 0.00 1.55 1.45 0.67 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 93 N 8.87 4.78 0.00 2.66 1.93 0.00 0.00 6.70 7.61 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 94 S 8.46 4.84 0.00 3.94 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 95 I 8.42 5.06 1.89 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 1.07 0.95 0.98 0.00 0.00 96 Y 8.85 5.52 0.00 2.52 2.78 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 R 8.57 4.48 0.00 1.53 1.69 0.00 3.21 0.00 0.00 3.26 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.20 0.00 98 S 8.49 4.90 0.00 3.32 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.63 4.78 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 1.21 0.00 0.00 100 G 7.76 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 0.00 0.00 0.00 0.00 101 E 8.89 4.19 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.86 0.00 102 H 7.99 5.42 0.00 3.27 3.33 0.00 5.44 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.39 4.81 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 0.00 104 E 8.40 5.08 0.00 1.90 1.91 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 2.36 2.49 0.00 105 L 8.33 4.52 0.00 1.27 1.32 0.76 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.78 4.38 0.00 3.79 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 0.00 107 N 7.35 4.41 0.00 2.80 2.64 0.00 0.00 6.68 7.63 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 0.00 108 S 8.53 4.71 0.00 3.62 3.51 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 0.00 109 Y 7.60 4.78 0.00 3.11 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 0.00 110 F 8.92 5.48 0.00 3.05 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 0.00 111 V 8.67 4.56 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 0.96 0.00 0.00 1.01 0.00 0.00 112 H 9.15 4.99 0.00 3.17 3.31 0.00 5.67 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.81 4.14 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 114 G 8.65 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 0.00 115 E 8.03 4.55 0.00 2.17 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 2.31 2.58 0.00 116 C 8.38 5.20 0.00 2.94 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 0.00 117 L 9.02 4.94 0.00 1.83 1.85 0.93 0.81 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 0.00 118 I 8.40 4.65 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 1.36 0.89 0.94 0.00 0.00 119 S 8.46 4.59 0.00 4.16 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 0.00 120 T 8.24 4.46 4.26 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 1.23 0.00 0.00 121 K 8.52 4.07 0.00 1.74 1.75 0.00 1.88 0.00 0.00 1.73 0.00 0.00 3.16 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.48 7.81 122 G 8.94 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 0.00 0.00 0.00 123 L 7.75 4.28 0.00 1.91 1.59 0.93 0.98 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 0.00 124 I 8.01 4.92 1.82 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.30 0.24 0.00 0.00 125 H 8.26 5.06 0.00 3.43 3.36 0.00 5.41 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 K 8.76 4.52 0.00 1.72 1.72 0.00 1.95 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.62 7.81 *128 S 8.62 4.50 0.00 3.97 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 0.00 129 N 8.90 5.34 0.00 2.85 2.87 0.00 0.00 7.14 7.46 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 0.00 130 P 0.00 4.34 0.00 2.33 2.29 0.00 3.95 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.35 0.00 131 T 7.80 4.05 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 1.25 0.00 0.00 132 S 8.51 4.46 0.00 4.01 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 0.00 133 E 7.45 4.76 0.00 1.88 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 2.23 2.26 0.00 134 R 8.12 4.27 0.00 1.99 1.92 0.00 3.15 0.00 0.00 3.18 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 *136 V 8.19 4.21 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 1.05 0.00 0.00 0.97 0.00 0.00 137 S 9.71 4.96 0.00 3.77 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 0.00 138 L 8.41 4.72 0.00 1.65 1.51 0.85 1.00 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 0.00 139 H 9.07 4.98 0.00 2.78 2.45 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.19 4.59 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.53 0.00 0.00 141 Y 9.18 5.42 0.00 3.05 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 0.00 142 S 8.81 5.03 0.00 3.87 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 0.00 143 P 0.00 5.82 0.00 1.99 2.00 0.00 3.85 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 144 P 0.00 4.50 0.00 1.91 2.01 0.00 3.67 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 145 L 8.74 4.03 0.00 1.57 1.37 0.07 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.02 4.12 0.00 1.90 1.80 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 2.20 2.35 0.00 147 D 7.59 4.84 0.00 2.68 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 *149 T 8.06 4.19 3.93 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 1.21 0.00 0.00 150 V 8.24 4.76 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 0.83 0.00 0.00 0.94 0.00 0.00 151 F 8.95 4.82 0.00 2.79 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 0.00 152 E 8.11 4.27 0.00 2.22 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 2.34 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.