NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3087 8.0327 110.9387 61.9317 69.5785 173.8179 3 L 3.7523 8.0866 131.7931 58.0535 42.6805 175.7703 4 I 3.5713 7.9025 118.4933 64.3015 38.1962 176.2255 5 E 3.8800 8.1921 119.2391 59.2567 29.3910 178.4400 6 L 3.9110 7.3451 117.7324 58.5589 42.3898 178.7893 7 M 4.0176 8.4982 118.7438 58.0756 31.6823 178.6939 8 I 3.8964 7.5834 120.0878 63.8513 37.6393 178.2910 9 V 3.5758 8.0273 119.3509 65.8767 31.2400 178.2512 10 I 3.6753 8.1121 119.7076 64.1995 36.9891 178.0768 11 A 3.9952 7.8342 121.5294 55.2884 18.1056 179.7982 12 I 3.6977 7.9790 111.7634 64.1040 37.7380 178.6451 13 V 3.6732 7.9797 120.2736 65.6327 31.4203 178.3367 14 G 3.6497 8.5448 106.1929 47.5228 0.0000 175.7103 15 I 3.8477 7.8279 115.4581 63.7122 37.7272 178.2010 16 L 3.9861 7.7389 120.7203 57.5513 41.4245 179.4247 17 A 3.9040 8.0500 120.3959 54.9740 18.1303 179.3304 18 A 3.9086 7.6206 118.0154 55.4665 18.5273 179.7025 19 V 3.6613 8.1250 115.2381 66.1752 31.8969 177.8224 20 A 4.1110 8.4026 120.9773 54.7050 18.1016 178.9380 21 L 3.8715 8.4112 119.7910 58.0513 41.9703 177.3161 22 P 4.2330 0.0000 0.0000 66.1683 30.8419 177.7806 23 A 4.0128 8.0394 120.8608 54.9265 18.2943 179.0505 24 Y 4.1200 8.0687 117.4280 60.4396 38.4296 177.3040 25 Q 3.9711 8.6058 121.2305 59.4342 29.2274 178.1155 26 D 4.5023 8.5898 120.0059 56.9440 40.8597 178.2351 27 Y 3.9213 8.2978 121.0123 60.7089 38.8409 178.0129 28 T 3.5483 8.0007 110.7545 64.8433 68.7924 175.9566 29 A 3.9146 7.3520 123.0281 54.8531 18.2505 179.8862 30 R 3.7839 7.7131 115.6267 59.1004 29.9732 179.1385 31 A 3.8965 7.4113 122.0220 54.6770 18.0328 179.7736 32 Q 3.4472 8.0738 116.9242 58.7605 28.6016 179.0854 33 V 3.5405 7.7002 113.0832 63.5075 31.3603 178.4137 34 S 4.0960 7.8732 115.6555 61.7313 62.6986 176.3616 35 E 3.9486 7.8333 120.8464 59.1872 29.4563 178.5178 36 A 3.9946 7.5409 120.4158 55.5543 18.4461 179.7557 37 I 3.7001 8.1879 118.5157 64.2961 36.5599 178.3707 38 L 4.0511 8.1651 121.4807 57.7123 41.7184 178.8702 39 L 4.0281 8.3723 118.6083 57.4881 41.7922 178.9310 40 A 4.1312 8.1132 120.9820 55.1159 18.3330 179.5381 41 E 3.8209 8.1283 116.7185 58.8791 29.2071 179.5296 42 G 3.6623 7.4083 104.7086 48.0112 0.0000 175.3235 43 Q 4.1870 7.6383 118.4248 57.4485 28.6344 178.5307 44 K 3.6300 7.6260 120.3093 58.6657 31.7911 179.0770 45 S 4.0637 7.9521 113.1282 61.4147 62.4020 175.7690 46 A 4.0905 8.0272 122.8715 55.3304 18.0761 179.6388 47 V 3.8583 7.9210 116.5029 66.4223 31.6157 178.3749 48 T 4.1857 8.6564 115.7940 66.7347 68.3209 175.9427 49 E 3.9680 8.4814 121.1811 59.5867 29.5716 178.0956 50 Y 3.7538 8.2791 119.2802 61.0294 38.9182 177.5156 51 Y 4.4573 8.4462 121.9412 60.1187 38.5226 178.1645 52 L 3.9173 7.9216 119.4170 57.6658 41.9159 178.7038 53 N 4.5124 8.2821 114.5614 55.2897 38.5803 175.5262 54 H 4.5826 7.3846 113.6704 54.3697 31.7308 174.7049 55 G 3.4248 8.2488 107.1221 44.5495 0.0000 173.2670 56 K 4.7018 7.2485 118.5231 54.0594 34.8626 175.3555 57 W 4.8053 8.6538 122.2130 55.2317 30.1338 174.7594 58 P 3.1977 0.0000 0.0000 62.7987 31.1888 177.0276 59 E 4.0031 8.5779 122.8233 58.6670 30.2739 175.3138 60 N 5.9681 7.3591 113.1238 50.9221 40.2487 173.9595 61 N 4.3130 9.0057 114.3990 57.2568 38.6043 177.4584 62 T 3.8850 7.9125 116.3316 66.7062 68.4245 176.4749 63 S 4.2421 8.6344 116.0047 61.9483 63.0437 176.7084 64 A 4.3234 7.8654 120.9086 52.7569 18.5869 177.0952 65 G 3.7280 8.0479 104.3802 47.0721 0.0000 173.1078 66 V 4.4740 7.7166 110.2956 58.3717 35.7353 176.0389 67 A 4.1540 8.2888 122.1715 51.6252 18.1079 174.4207 *69 P 4.2029 0.0000 0.0000 61.9171 32.5377 175.3956 70 P 4.3917 0.0000 0.0000 65.4166 30.9097 178.1604 71 S 4.3890 8.0183 112.6149 60.4439 62.7492 174.4172 72 D 4.5729 8.1141 119.3264 54.8388 41.0305 176.9310 73 I 4.3073 7.7761 122.1887 59.0331 36.5974 174.4867 74 K 4.7554 8.0517 122.8356 54.8853 36.2201 176.0277 75 G 4.0275 8.5111 106.7431 44.5341 0.0000 172.1238 76 K 3.8445 8.4942 118.1911 59.1175 32.0084 177.6517 77 Y 4.7171 8.6937 113.9323 57.3905 39.5976 174.9191 78 V 4.6031 7.5829 120.7137 61.2899 33.3180 176.1876 79 K 4.1811 8.8712 129.6282 58.9664 32.9785 176.8349 80 E 5.2407 7.6511 114.1466 56.1858 32.1782 174.4620 81 V 4.8088 8.3153 122.1780 61.0961 34.6764 173.4957 82 E 5.0795 9.1610 128.5603 54.3601 32.7314 174.4114 83 V 4.4118 8.8887 127.7627 62.1855 32.9926 174.8056 84 K 4.6769 8.8087 129.5007 54.7091 34.6205 175.6614 85 N 4.3879 9.1880 128.2996 54.4026 36.0100 176.3763 86 G 4.0152 8.3781 105.0012 45.6250 0.0000 173.5852 87 V 4.3656 7.3640 121.1631 61.4387 33.3694 174.7519 88 V 4.8977 8.7589 127.8425 60.3887 33.7161 174.6800 89 T 5.1433 8.7519 121.6177 61.5708 71.5808 172.6931 90 A 5.1254 8.8140 128.2308 50.5617 21.7465 175.3455 91 T 4.9740 8.5984 118.9426 62.0582 71.2676 174.3384 92 M 4.7440 9.1835 125.7108 54.7140 33.9317 175.9663 93 L 4.5476 9.1910 124.4942 54.7218 44.2805 176.9920 94 S 5.0434 8.3102 114.4880 57.5441 62.6441 174.6453 95 S 4.4676 8.0377 115.3013 58.6552 66.6041 175.3197 96 G 3.9564 9.1161 112.4436 45.7740 0.0000 173.0688 97 V 4.5030 7.0629 118.1521 60.0315 34.5806 174.9227 98 N 4.2548 8.8449 124.5157 53.9233 39.5990 175.4093 99 N 4.3443 8.8487 123.4342 56.5452 39.2561 176.1170 100 E 4.2418 8.5163 114.7250 57.5798 29.8462 177.1674 101 I 4.4155 7.8297 113.0708 60.1683 38.0861 174.9895 102 K 4.1869 7.7850 120.8593 58.0420 33.0144 177.4041 103 G 4.2781 9.0305 110.9337 45.6990 0.0000 173.1370 104 K 4.7908 7.5152 119.8428 54.8066 34.9674 175.1734 105 K 5.7423 9.2899 119.6313 54.6217 36.7070 174.8899 106 L 5.3271 8.3433 119.7579 54.4194 44.7861 174.9504 107 S 5.4041 9.3406 113.7592 57.0856 67.8087 173.3206 108 L 5.8962 9.4250 122.8221 52.1997 44.4762 175.6519 109 W 5.4930 8.4365 118.4700 55.0716 32.2417 172.9327 110 A 5.1938 7.2739 120.6220 48.7750 22.0704 174.9718 111 R 4.8263 8.0248 117.6546 54.4868 34.2006 174.1490 112 R 4.7404 8.8232 121.7222 55.4874 30.4166 176.6931 113 E 4.3392 8.9678 124.7832 56.2115 28.6634 175.2400 114 N 4.1069 7.2642 117.1547 58.1206 35.3412 172.9664 115 G 3.9804 8.4100 114.5989 45.6412 0.0000 171.7482 116 S 4.7394 8.4388 113.3489 57.3328 66.9004 173.3440 117 V 4.9204 8.4438 111.8867 59.6235 34.4602 175.4747 118 K 4.4068 8.4132 123.9706 54.5112 34.3880 175.1035 119 W 4.6421 8.4539 126.8607 55.3181 31.2853 175.4319 120 F 4.7461 8.3790 120.0374 55.7343 43.0768 173.0679 121 C 5.2093 9.2019 119.9003 54.8769 47.2319 174.0280 122 G 4.2574 8.3024 111.7233 46.3131 0.0000 172.2255 123 Q 4.6395 8.7475 118.7856 54.7583 29.9499 174.5868 124 P 5.0479 0.0000 0.0000 62.5965 32.5369 175.8902 125 V 4.7849 8.0046 120.9469 60.1097 34.7448 174.4427 126 T 4.5626 8.6801 112.2707 59.6427 71.8259 173.2317 127 R 4.2859 8.4037 124.5944 56.6462 30.8886 175.9994 128 T 4.2007 8.7082 123.1653 65.4000 69.2170 174.0375 129 D 4.8030 7.3582 118.1323 52.0751 42.2587 175.1340 130 D 4.8891 8.8883 117.5075 56.8028 40.7687 176.5830 131 D 5.0231 8.2380 116.8989 53.5587 42.8963 175.3347 132 T 4.7792 8.1083 109.7207 59.8397 71.9206 173.4827 133 V 4.8457 8.3247 115.3231 59.5602 35.4476 174.3868 134 A 4.6506 8.6530 122.8784 49.8310 22.8737 175.3065 135 D 4.4100 8.1274 119.1823 53.7519 41.3555 177.2042 136 A 4.6347 8.1296 125.3109 50.4168 17.5877 176.3835 137 K 4.6294 7.9083 119.2397 53.6796 33.5657 176.6850 138 D 4.7615 9.1580 122.0219 52.7774 39.9553 176.8670 139 G 3.9678 8.6240 108.5907 45.3745 0.0000 174.4576 140 K 4.6801 8.5942 119.0470 56.0364 33.4655 175.7836 141 E 4.7321 8.0237 118.9419 55.7248 31.3150 175.9215 142 I 3.9922 8.2827 123.4823 61.2976 37.9573 176.1683 143 D 4.5691 8.7783 125.7885 54.4744 41.7549 177.6823 144 T 3.9240 8.5471 118.5549 66.5928 68.6242 176.9546 145 K 3.9526 8.0346 119.0130 59.3415 32.4063 176.8732 146 H 4.7540 7.6893 114.2523 55.4559 29.5392 174.6417 147 L 4.3231 7.7245 120.9155 53.0149 42.4160 175.1147 148 P 4.3741 0.0000 0.0000 62.6992 31.8548 177.4594 149 S 4.2333 8.5058 114.6697 60.8721 63.1266 175.4766 150 T 4.0864 7.8189 110.1724 63.3449 69.4355 175.0496 151 C 5.0639 8.0351 121.4827 55.2029 43.1264 173.2907 152 R 4.7659 7.6735 115.0865 55.6982 31.9353 175.3467 153 D 4.6524 8.4575 118.7937 54.1089 41.5950 176.4181 154 N 4.8978 8.5686 120.9836 51.9251 39.9113 175.8463 155 F 3.8199 9.0116 115.5375 59.8105 37.4945 175.9834 156 D 4.1889 6.3417 116.8127 52.1999 39.5681 176.2409 157 A 3.9973 7.3842 123.4452 53.1179 18.9173 178.1571 158 K 4.2514 8.1708 118.1369 57.0338 33.1499 176.1740 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 4.31 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 3 L 8.09 3.75 0.00 1.86 1.68 0.92 0.62 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 4 I 7.90 3.57 1.87 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 1.52 1.05 0.91 0.00 0.00 5 E 8.19 3.88 0.00 2.11 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 2.38 2.43 0.00 6 L 7.35 3.91 0.00 1.76 1.83 0.92 0.97 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 7 M 8.50 4.02 0.00 2.05 2.30 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 2.78 2.59 0.00 8 I 7.58 3.90 2.07 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 1.40 0.74 0.91 0.00 0.00 9 V 8.03 3.58 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 1.02 0.00 0.00 0.98 0.00 0.00 10 I 8.11 3.68 1.86 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 1.67 0.77 0.90 0.00 0.00 11 A 7.83 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 7.98 3.70 1.86 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 1.40 1.07 0.96 0.00 0.00 13 V 7.98 3.67 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 0.98 0.00 0.00 0.91 0.00 0.00 14 G 8.54 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 0.00 0.00 0.00 15 I 7.83 3.85 1.87 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 1.52 0.82 0.97 0.00 0.00 16 L 7.74 3.99 0.00 1.92 1.74 0.94 0.90 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 17 A 8.05 3.90 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 18 A 7.62 3.91 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.12 3.66 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 0.84 0.00 0.00 0.93 0.00 0.00 20 A 8.40 4.11 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 21 L 8.41 3.87 0.00 1.99 1.89 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.23 0.00 2.33 2.36 0.00 3.97 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 2.32 2.10 0.00 23 A 8.04 4.01 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 0.00 0.00 24 Y 8.07 4.12 0.00 2.94 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.61 3.97 0.00 2.50 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 26 D 8.59 4.50 0.00 2.94 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.30 3.92 0.00 3.19 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 28 T 8.00 3.55 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 0.60 0.00 0.00 29 A 7.35 3.91 1.15 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 30 R 7.71 3.78 0.00 1.78 1.80 0.00 3.10 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.73 0.00 31 A 7.41 3.90 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 32 Q 8.07 3.45 0.00 1.70 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 1.16 2.05 0.00 33 V 7.70 3.54 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 0.81 0.00 0.00 1.00 0.00 0.00 34 S 7.87 4.10 0.00 3.96 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 35 E 7.83 3.95 0.00 2.32 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 0.00 2.34 2.36 0.00 36 A 7.54 3.99 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 37 I 8.19 3.70 2.01 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 1.42 1.35 0.95 0.00 0.00 38 L 8.17 4.05 0.00 1.89 1.64 0.89 0.90 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 39 L 8.37 4.03 0.00 1.74 1.71 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.11 4.13 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 41 E 8.13 3.82 0.00 1.91 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 2.16 2.42 0.00 42 G 7.41 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 7.64 4.19 0.00 2.47 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 44 K 7.63 3.63 0.00 1.24 0.74 0.00 0.61 0.00 0.00 0.81 0.00 0.00 2.51 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.30 0.92 7.81 45 S 7.95 4.06 0.00 3.86 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 46 A 8.03 4.09 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.92 3.86 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 1.75 0.00 0.00 1.22 0.00 0.00 48 T 8.66 4.19 4.68 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 1.40 0.00 0.00 49 E 8.48 3.97 0.00 2.46 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 2.36 2.41 0.00 50 Y 8.28 3.75 0.00 3.27 3.20 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 51 Y 8.45 4.46 0.00 2.54 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.92 3.92 0.00 1.97 1.70 1.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.28 4.51 0.00 2.61 2.68 0.00 0.00 6.83 8.18 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 54 H 7.38 4.58 0.00 3.03 3.10 0.00 5.86 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 55 G 8.25 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 0.00 0.00 0.00 56 K 7.25 4.70 0.00 1.85 1.91 0.00 1.81 0.00 0.00 1.95 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.44 7.81 57 W 8.65 4.81 0.00 3.32 3.22 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 58 P 0.00 3.20 0.00 1.96 1.37 0.00 4.11 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 2.15 2.07 0.00 59 E 8.58 4.00 0.00 2.02 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 2.37 2.31 0.00 60 N 7.36 5.97 0.00 2.93 2.89 0.00 0.00 6.74 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 61 N 9.01 4.31 0.00 2.84 3.05 0.00 0.00 6.87 7.05 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 62 T 7.91 3.88 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 63 S 8.63 4.24 0.00 3.87 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 64 A 7.87 4.32 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 0.00 0.00 65 G 8.05 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 66 V 7.72 4.47 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 0.81 0.00 0.00 1.02 0.00 0.00 67 A 8.29 4.15 1.27 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 *69 P 0.00 4.20 0.00 2.26 2.25 0.00 3.85 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 1.97 0.00 70 P 0.00 4.39 0.00 2.42 2.50 0.00 3.87 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 71 S 8.02 4.39 0.00 3.88 3.97 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 72 D 8.11 4.57 0.00 2.77 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 73 I 7.78 4.31 1.87 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 1.36 0.82 0.91 0.00 0.00 74 K 8.05 4.76 0.00 1.94 1.91 0.00 1.50 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.38 1.38 7.81 75 G 8.51 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 76 K 8.49 3.84 0.00 0.79 1.13 0.00 1.49 0.00 0.00 1.34 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.22 1.16 7.81 77 Y 8.69 4.72 0.00 2.98 2.86 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 0.00 0.00 0.00 78 V 7.58 4.60 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 1.14 0.00 0.00 1.05 0.00 0.00 79 K 8.87 4.18 0.00 1.83 1.82 0.00 1.90 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.39 7.81 80 E 7.65 5.24 0.00 2.03 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 2.22 2.10 0.00 81 V 8.32 4.81 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 0.94 0.00 0.00 82 E 9.16 5.08 0.00 2.04 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 2.20 2.22 0.00 83 V 8.89 4.41 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 0.99 0.00 0.00 1.00 0.00 0.00 84 K 8.81 4.68 0.00 1.81 1.62 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.30 1.39 7.81 85 N 9.19 4.39 0.00 2.92 2.85 0.00 0.00 7.02 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.38 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 87 V 7.36 4.37 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 1.13 0.00 0.00 0.78 0.00 0.00 88 V 8.76 4.90 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 0.86 0.00 0.00 0.97 0.00 0.00 89 T 8.75 5.14 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 1.26 0.00 0.00 90 A 8.81 5.13 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 91 T 8.60 4.97 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 1.27 0.00 0.00 92 M 9.18 4.74 0.00 1.91 2.23 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.81 0.00 93 L 9.19 4.55 0.00 1.85 1.61 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.31 5.04 0.00 3.86 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 95 S 8.04 4.47 0.00 3.85 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 96 G 9.12 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 0.00 0.00 0.00 97 V 7.06 4.50 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 1.05 0.00 0.00 98 N 8.84 4.25 0.00 2.69 2.69 0.00 0.00 6.75 6.31 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 99 N 8.85 4.34 0.00 2.84 2.80 0.00 0.00 6.97 7.65 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 0.00 100 E 8.52 4.24 0.00 2.14 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 2.50 2.25 0.00 101 I 7.83 4.42 1.81 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.85 0.75 0.00 0.00 102 K 7.78 4.19 0.00 2.08 1.85 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.65 1.38 7.81 103 G 9.03 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 0.00 0.00 0.00 0.00 104 K 7.52 4.79 0.00 1.68 1.89 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.52 7.81 105 K 9.29 5.74 0.00 1.75 1.95 0.00 1.52 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.21 7.81 106 L 8.34 5.33 0.00 1.99 1.83 0.95 0.53 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 0.00 107 S 9.34 5.40 0.00 3.92 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 0.00 108 L 9.42 5.90 0.00 1.83 1.91 0.98 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.44 5.49 0.00 3.05 3.08 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 0.00 110 A 7.27 5.19 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 R 8.02 4.83 0.00 2.20 1.91 0.00 3.29 0.00 0.00 3.47 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 112 R 8.82 4.74 0.00 2.01 2.12 0.00 3.17 0.00 0.00 3.71 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.74 0.00 113 E 8.97 4.34 0.00 2.15 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 0.00 2.29 2.26 0.00 114 N 7.26 4.11 0.00 2.81 3.04 0.00 0.00 7.37 7.65 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 0.00 115 G 8.41 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 0.00 0.00 0.00 116 S 8.44 4.74 0.00 3.90 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 0.00 117 V 8.44 4.92 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 0.75 0.00 0.00 1.16 0.00 0.00 118 K 8.41 4.41 0.00 1.96 1.50 0.00 1.25 0.00 0.00 1.54 0.00 0.00 2.65 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.24 0.69 7.81 119 W 8.45 4.64 0.00 2.96 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 0.00 120 F 8.38 4.75 0.00 1.51 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 0.00 0.00 0.00 121 C 9.20 5.21 0.00 2.91 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.30 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 0.00 0.00 0.00 0.00 123 Q 8.75 4.64 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.91 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 124 P 0.00 5.05 0.00 2.21 1.94 0.00 3.80 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.93 0.00 125 V 8.00 4.78 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 -0.08 0.00 0.00 0.28 0.00 0.00 126 T 8.68 4.56 4.14 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 0.00 0.00 1.14 0.00 0.00 127 R 8.40 4.29 0.00 1.60 1.78 0.00 3.36 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 128 T 8.71 4.20 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 1.19 0.00 0.00 129 D 7.36 4.80 0.00 2.70 2.77 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 0.00 130 D 8.89 4.89 0.00 2.83 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 0.00 131 D 8.24 5.02 0.00 2.65 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 0.00 132 T 8.11 4.78 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 1.25 0.00 0.00 133 V 8.32 4.85 1.69 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 0.43 0.00 0.00 0.22 0.00 0.00 134 A 8.65 4.65 0.98 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 0.00 0.00 135 D 8.13 4.41 0.00 2.25 2.45 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 0.00 136 A 8.13 4.63 1.10 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 0.00 0.00 137 K 7.91 4.63 0.00 1.68 1.88 0.00 1.70 0.00 0.00 0.61 0.00 0.00 3.16 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.33 1.30 7.81 138 D 9.16 4.76 0.00 2.70 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.62 3.97 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 0.00 0.00 0.00 140 K 8.59 4.68 0.00 1.80 1.78 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.34 7.81 141 E 8.02 4.73 0.00 2.02 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 2.35 2.28 0.00 142 I 8.28 3.99 1.90 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 1.38 0.83 0.94 0.00 0.00 143 D 8.78 4.57 0.00 2.69 2.57 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 0.00 144 T 8.55 3.92 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 1.22 0.00 0.00 145 K 8.03 3.95 0.00 1.78 1.89 0.00 1.48 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.13 1.12 7.81 146 H 7.69 4.75 0.00 3.14 3.30 0.00 5.65 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 0.00 147 L 7.72 4.32 0.00 1.87 1.69 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 148 P 0.00 4.37 0.00 2.16 1.98 0.00 3.60 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 149 S 8.51 4.23 0.00 3.98 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 0.00 150 T 7.82 4.09 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 1.20 0.00 0.00 151 C 8.04 5.06 0.00 2.91 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.67 4.77 0.00 1.81 1.88 0.00 3.44 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.58 0.00 153 D 8.46 4.65 0.00 2.92 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 0.00 154 N 8.57 4.90 0.00 2.79 2.72 0.00 0.00 6.86 8.13 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 0.00 155 F 9.01 3.82 0.00 2.91 3.19 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 0.00 156 D 6.34 4.19 0.00 2.31 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 A 7.38 4.00 1.11 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 0.00 0.00 0.00 0.00 0.00 158 K 8.17 4.25 0.00 1.68 1.68 0.00 2.00 0.00 0.00 1.86 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.